CID 212927

25390-44-7

Structural Information

Molecular Formula
C25H25N3
SMILES
CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)C4=CC=CC=C4)C5=CC=CC=C52
InChI
InChI=1S/C25H25N3/c1-19-11-12-20(17-26-19)13-16-28-24-10-6-5-9-22(24)23-18-27(15-14-25(23)28)21-7-3-2-4-8-21/h2-12,17H,13-16,18H2,1H3
InChIKey
NQSMNYMMPRBYDW-UHFFFAOYSA-N
Compound name
5-[2-(6-methylpyridin-3-yl)ethyl]-2-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.20483 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.21211 192.9
[M+Na]+ 390.19405 201.0
[M-H]- 366.19755 199.9
[M+NH4]+ 385.23865 204.3
[M+K]+ 406.16799 192.0
[M+H-H2O]+ 350.20209 180.3
[M+HCOO]- 412.20303 209.1
[M+CH3COO]- 426.21868 201.8
[M+Na-2H]- 388.17950 195.6
[M]+ 367.20428 192.3
[M]- 367.20538 192.3
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.