PubChemLite - Ct-1746 (C19H28ClN3O4)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[C@@H](C(=O)N)NC(=O)[C@H](CCCC1=CC=C(C=C1)Cl)CC(=O)NO

InChI

InChI=1S/C19H28ClN3O4/c1-19(2,3)16(17(21)25)22-18(26)13(11-15(24)23-27)6-4-5-12-7-9-14(20)10-8-12/h7-10,13,16,27H,4-6,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24)/t13-,16-/m1/s1

InChIKey

CZCIELLKWLGEFJ-CZUORRHYSA-N

Compound name

(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(4-chlorophenyl)propyl]-N'-hydroxybutanediamide

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]+	398.18410	196.0
[M+Na]+	420.16604	197.6
[M-H]-	396.16954	196.8
[M+NH4]+	415.21064	205.9
[M+K]+	436.13998	194.5
[M+H-H2O]+	380.17408	189.7
[M+HCOO]-	442.17502	208.9
[M+CH3COO]-	456.19067	227.1
[M+Na-2H]-	418.15149	192.6
[M]+	397.17627	196.8
[M]-	397.17737	196.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.18410

196.0

[M+Na]+

420.16604

197.6

[M-H]-

396.16954

196.8

[M+NH4]+

415.21064

205.9

[M+K]+

436.13998

194.5

[M+H-H2O]+

380.17408

189.7

[M+HCOO]-

442.17502

208.9

[M+CH3COO]-

456.19067

227.1

[M+Na-2H]-

418.15149

192.6

[M]+

397.17627

196.8

[M]-

397.17737

196.8

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

Ct-1746

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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