CID 212900

25378-52-3

Structural Information

Molecular Formula
C26H27N3
SMILES
CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)CC4=CC=CC=C4)C5=CC=CC=C52
InChI
InChI=1S/C26H27N3/c1-20-11-12-21(17-27-20)13-16-29-25-10-6-5-9-23(25)24-19-28(15-14-26(24)29)18-22-7-3-2-4-8-22/h2-12,17H,13-16,18-19H2,1H3
InChIKey
SMIWUMHLBZQUSR-UHFFFAOYSA-N
Compound name
2-benzyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

381.2205 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22778 197.4
[M+Na]+ 404.20972 205.0
[M-H]- 380.21322 204.1
[M+NH4]+ 399.25432 208.1
[M+K]+ 420.18366 195.7
[M+H-H2O]+ 364.21776 184.5
[M+HCOO]- 426.21870 213.1
[M+CH3COO]- 440.23435 205.7
[M+Na-2H]- 402.19517 199.4
[M]+ 381.21995 197.0
[M]- 381.22105 197.0
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

patents stripe