PubChemLite - 163958-73-4 (C24H32N4O5)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)CC(=O)NO

InChI

InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19+,20-/m0/s1

InChIKey

CRCPLBFLOSEABN-BEVDRBHNSA-N

Compound name

(2R)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	457.24455	211.4
[M+Na]+	479.22649	208.9
[M-H]-	455.22999	211.9
[M+NH4]+	474.27109	217.4
[M+K]+	495.20043	208.8
[M+H-H2O]+	439.23453	202.6
[M+HCOO]-	501.23547	226.3
[M+CH3COO]-	515.25112	245.8
[M+Na-2H]-	477.21194	205.8
[M]+	456.23672	209.1
[M]-	456.23782	209.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.24455

211.4

[M+Na]+

479.22649

208.9

[M-H]-

455.22999

211.9

[M+NH4]+

474.27109

217.4

[M+K]+

495.20043

208.8

[M+H-H2O]+

439.23453

202.6

[M+HCOO]-

501.23547

226.3

[M+CH3COO]-

515.25112

245.8

[M+Na-2H]-

477.21194

205.8

[M]+

456.23672

209.1

[M]-

456.23782

209.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

163958-73-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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