CID 453410

136817-11-3

Structural Information

Molecular Formula
C25H35N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CCCCCCN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C25H35N5O/c1-19(2)27-22-14-11-15-26-24(22)29(3)16-9-5-6-10-17-30(4)25(31)23-18-20-12-7-8-13-21(20)28-23/h7-8,11-15,18-19,27-28H,5-6,9-10,16-17H2,1-4H3
InChIKey
NJIJEEGZTXJCTH-UHFFFAOYSA-N
Compound name
N-methyl-N-[6-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]hexyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.28415 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.29143 207.3
[M+Na]+ 444.27337 209.6
[M-H]- 420.27687 212.8
[M+NH4]+ 439.31797 216.8
[M+K]+ 460.24731 205.5
[M+H-H2O]+ 404.28141 196.0
[M+HCOO]- 466.28235 228.2
[M+CH3COO]- 480.29800 240.7
[M+Na-2H]- 442.25882 207.4
[M]+ 421.28360 210.9
[M]- 421.28470 210.9
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.