CID 5291723

16641-82-0

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
InChIKey
LIAUJQLOCLVMMH-UHFFFAOYSA-N
Compound name
methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

28
Patents

240.08987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.6
[M+Na]+ 263.07909 163.9
[M-H]- 239.08259 155.2
[M+NH4]+ 258.12369 171.3
[M+K]+ 279.05303 159.0
[M+H-H2O]+ 223.08713 145.5
[M+HCOO]- 285.08807 172.9
[M+CH3COO]- 299.10372 165.5
[M+Na-2H]- 261.06454 158.8
[M]+ 240.08932 155.9
[M]- 240.09042 155.9
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

patents stripe