CID 453401

136816-90-5

Structural Information

Molecular Formula
C22H25N5O
SMILES
C1CC1CNC2=C(N=CC=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C22H25N5O/c28-22(20-14-17-4-1-2-5-18(17)25-20)27-12-10-26(11-13-27)21-19(6-3-9-23-21)24-15-16-7-8-16/h1-6,9,14,16,24-25H,7-8,10-13,15H2
InChIKey
GSPYACVZNDUSOW-UHFFFAOYSA-N
Compound name
[4-[3-(cyclopropylmethylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.2059 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21318 193.6
[M+Na]+ 398.19512 200.5
[M-H]- 374.19862 200.0
[M+NH4]+ 393.23972 196.7
[M+K]+ 414.16906 191.5
[M+H-H2O]+ 358.20316 182.4
[M+HCOO]- 420.20410 208.7
[M+CH3COO]- 434.21975 200.4
[M+Na-2H]- 396.18057 194.7
[M]+ 375.20535 191.1
[M]- 375.20645 191.1
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.