CID 209868

20674-94-6

Structural Information

Molecular Formula
C23H29N3
SMILES
CCCCN1CCC2=C(C1)C3=CC=CC=C3N2CCC4=CN=C(C=C4)C
InChI
InChI=1S/C23H29N3/c1-3-4-13-25-14-12-23-21(17-25)20-7-5-6-8-22(20)26(23)15-11-19-10-9-18(2)24-16-19/h5-10,16H,3-4,11-15,17H2,1-2H3
InChIKey
XIAHJIQQDNEZAT-UHFFFAOYSA-N
Compound name
2-butyl-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

0
Patents

347.23615 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24343 189.9
[M+Na]+ 370.22537 197.8
[M-H]- 346.22887 193.7
[M+NH4]+ 365.26997 203.0
[M+K]+ 386.19931 189.8
[M+H-H2O]+ 330.23341 178.7
[M+HCOO]- 392.23435 205.7
[M+CH3COO]- 406.25000 198.9
[M+Na-2H]- 368.21082 191.6
[M]+ 347.23560 191.5
[M]- 347.23670 191.5
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.