CID 162705326

Adb-hexinaca

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CCCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC(C(=O)N)C(C)(C)C
InChI
InChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26)
InChIKey
PZMLDAGKYPJWHJ-UHFFFAOYSA-N
Compound name
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.23688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.244156 191.9
[M+Na]+ 381.226098 196.8
[M-H]- 357.229604 193.2
[M+NH4]+ 376.270703 204.2
[M+K]+ 397.200038 193.2
[M+H-H2O]+ 341.234140 183.5
[M+HCOO]- 403.235081 209.8
[M+CH3COO]- 417.250731 222.5
[M+Na-2H]- 379.211546 192.1
[M]+ 358.23633142 194.9
[M]- 358.23742858 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.