PubChemLite - Adb-chminaca (C21H30N4O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3

InChI

InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)/t18-/m1/s1

InChIKey

ZWCCSIUBHCZKOY-GOSISDBHSA-N

Compound name

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide

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]+	371.24416	191.3
[M+Na]+	393.22610	193.9
[M-H]-	369.22960	194.9
[M+NH4]+	388.27070	202.3
[M+K]+	409.20004	190.1
[M+H-H2O]+	353.23414	182.2
[M+HCOO]-	415.23508	205.9
[M+CH3COO]-	429.25073	222.6
[M+Na-2H]-	391.21155	190.7
[M]+	370.23633	187.9
[M]-	370.23743	187.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.24416

191.3

[M+Na]+

393.22610

193.9

[M-H]-

369.22960

194.9

[M+NH4]+

388.27070

202.3

[M+K]+

409.20004

190.1

[M+H-H2O]+

353.23414

182.2

[M+HCOO]-

415.23508

205.9

[M+CH3COO]-

429.25073

222.6

[M+Na-2H]-

391.21155

190.7

[M]+

370.23633

187.9

[M]-

370.23743

187.9

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

Adb-chminaca

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe