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]+ 257.12848 157.8
[M+Na]+ 279.11042 166.4
[M-H]- 255.11392 157.0
[M+NH4]+ 274.15502 174.0
[M+K]+ 295.08436 160.3
[M+H-H2O]+ 239.11846 150.7
[M+HCOO]- 301.11940 174.5
[M+CH3COO]- 315.13505 168.5
[M+Na-2H]- 277.09587 163.4
[M]+ 256.12065 158.1
[M]- 256.12175 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.