CID 512372

N-[4-[2-(cyclohexylamino)ethylamino]butyl]-1h-indole-6-carboxamide; formic acid

Structural Information

Molecular Formula
C21H32N4O
SMILES
C1CCC(CC1)NCCNCCCCNC(=O)C2=CC3=C(C=C2)C=CN3
InChI
InChI=1S/C21H32N4O/c26-21(18-9-8-17-10-13-24-20(17)16-18)25-12-5-4-11-22-14-15-23-19-6-2-1-3-7-19/h8-10,13,16,19,22-24H,1-7,11-12,14-15H2,(H,25,26)
InChIKey
VLVLQRSLIJPVOS-UHFFFAOYSA-N
Compound name
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-1H-indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.26488 182.6
[M+Na]+ 379.24682 183.1
[M-H]- 355.25032 185.5
[M+NH4]+ 374.29142 194.6
[M+K]+ 395.22076 177.1
[M+H-H2O]+ 339.25486 172.9
[M+HCOO]- 401.25580 202.1
[M+CH3COO]- 415.27145 219.1
[M+Na-2H]- 377.23227 185.4
[M]+ 356.25705 177.9
[M]- 356.25815 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.