CID 453415

153473-50-8

Structural Information

Molecular Formula
C22H26N4O
SMILES
CC(C)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H26N4O/c1-16(2)23-19-9-5-6-10-21(19)25-11-13-26(14-12-25)22(27)20-15-17-7-3-4-8-18(17)24-20/h3-10,15-16,23-24H,11-14H2,1-2H3
InChIKey
DFWRXQXSHAYVFI-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-[2-(propan-2-ylamino)phenyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.21066 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 188.2
[M+Na]+ 385.19988 192.7
[M-H]- 361.20338 192.9
[M+NH4]+ 380.24448 197.7
[M+K]+ 401.17382 185.8
[M+H-H2O]+ 345.20792 177.1
[M+HCOO]- 407.20886 202.6
[M+CH3COO]- 421.22451 195.8
[M+Na-2H]- 383.18533 188.4
[M]+ 362.21011 183.7
[M]- 362.21121 183.7
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.