PubChemLite - Mdmb-chmica (C23H32N2O3)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CC3CCCCC3

InChI

InChI=1S/C23H32N2O3/c1-23(2,3)20(22(27)28-4)24-21(26)18-15-25(14-16-10-6-5-7-11-16)19-13-9-8-12-17(18)19/h8-9,12-13,15-16,20H,5-7,10-11,14H2,1-4H3,(H,24,26)/t20-/m1/s1

InChIKey

SRJKCVHWIDFUBO-HXUWFJFHSA-N

Compound name

methyl (2S)-2-[[1-(cyclohexylmethyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate

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]+	385.24858	196.1
[M+Na]+	407.23052	198.7
[M-H]-	383.23402	201.2
[M+NH4]+	402.27512	208.5
[M+K]+	423.20446	195.4
[M+H-H2O]+	367.23856	187.8
[M+HCOO]-	429.23950	211.1
[M+CH3COO]-	443.25515	222.6
[M+Na-2H]-	405.21597	194.8
[M]+	384.24075	195.9
[M]-	384.24185	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

385.24858

196.1

[M+Na]+

407.23052

198.7

[M-H]-

383.23402

201.2

[M+NH4]+

402.27512

208.5

[M+K]+

423.20446

195.4

[M+H-H2O]+

367.23856

187.8

[M+HCOO]-

429.23950

211.1

[M+CH3COO]-

443.25515

222.6

[M+Na-2H]-

405.21597

194.8

[M]+

384.24075

195.9

[M]-

384.24185

195.9

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

Mdmb-chmica

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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