CID 218278

40431-43-4

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCCCN1C2=C(CN(CC2)C)C3=C1C=CC(=C3)C(=O)O
InChI
InChI=1S/C17H22N2O2/c1-3-4-8-19-15-6-5-12(17(20)21)10-13(15)14-11-18(2)9-7-16(14)19/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKey
ULMFMGFIBWTVDV-UHFFFAOYSA-N
Compound name
5-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 169.1
[M+Na]+ 309.157338 177.7
[M-H]- 285.160844 170.6
[M+NH4]+ 304.201943 185.9
[M+K]+ 325.131278 172.5
[M+H-H2O]+ 269.165380 161.5
[M+HCOO]- 331.166321 185.2
[M+CH3COO]- 345.181971 202.4
[M+Na-2H]- 307.142786 170.9
[M]+ 286.16757142 170.9
[M]- 286.16866858 170.9
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.