CID 15394712

1-(9h-pyrido[3,4-b]indol-1-yl)-1,4-butanediol

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(CCCO)O
InChI
InChI=1S/C15H16N2O2/c18-9-3-6-13(19)15-14-11(7-8-16-15)10-4-1-2-5-12(10)17-14/h1-2,4-5,7-8,13,17-19H,3,6,9H2
InChIKey
SPYBYBYFMPTBMD-UHFFFAOYSA-N
Compound name
1-(9H-pyrido[3,4-b]indol-1-yl)butane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 157.8
[M+Na]+ 279.110418 166.4
[M-H]- 255.113924 157.0
[M+NH4]+ 274.155023 174.0
[M+K]+ 295.084358 160.3
[M+H-H2O]+ 239.118460 150.7
[M+HCOO]- 301.119401 174.5
[M+CH3COO]- 315.135051 168.5
[M+Na-2H]- 277.095866 163.4
[M]+ 256.12065142 158.1
[M]- 256.12174858 158.1
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.