CID 46063

Methylcarbamic acid 9-methyl-9h-pyrido(3,4-b)indol-7-yl ester hydrochloride

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CNC(=O)OC1=CC2=C(C=C1)C3=C(N2C)C=NC=C3
InChI
InChI=1S/C14H13N3O2/c1-15-14(18)19-9-3-4-10-11-5-6-16-8-13(11)17(2)12(10)7-9/h3-8H,1-2H3,(H,15,18)
InChIKey
VHNDZZFJSPKZLA-UHFFFAOYSA-N
Compound name
(9-methylpyrido[3,4-b]indol-7-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 155.8
[M+Na]+ 278.08999 166.6
[M-H]- 254.09349 159.8
[M+NH4]+ 273.13459 174.3
[M+K]+ 294.06393 162.6
[M+H-H2O]+ 238.09803 148.0
[M+HCOO]- 300.09897 178.6
[M+CH3COO]- 314.11462 168.8
[M+Na-2H]- 276.07544 163.1
[M]+ 255.10022 160.1
[M]- 255.10132 160.1
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.