CID 512374

N-[4-[2-(cyclohexylamino)ethylamino]butyl]-n-methyl-1h-indole-5-carboxamide; formic acid

Structural Information

Molecular Formula
C22H34N4O
SMILES
CN(CCCCNCCNC1CCCCC1)C(=O)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C22H34N4O/c1-26(22(27)19-9-10-21-18(17-19)11-13-25-21)16-6-5-12-23-14-15-24-20-7-3-2-4-8-20/h9-11,13,17,20,23-25H,2-8,12,14-16H2,1H3
InChIKey
HNHRCDGQHIUCLJ-UHFFFAOYSA-N
Compound name
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-N-methyl-1H-indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.27325 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.28053 189.3
[M+Na]+ 393.26247 189.3
[M-H]- 369.26597 193.4
[M+NH4]+ 388.30707 201.2
[M+K]+ 409.23641 184.6
[M+H-H2O]+ 353.27051 179.2
[M+HCOO]- 415.27145 208.8
[M+CH3COO]- 429.28710 225.2
[M+Na-2H]- 391.24792 190.6
[M]+ 370.27270 186.1
[M]- 370.27380 186.1
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.