CID 46063

Carbamic acid, methyl-, 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]+ 256.108046 155.8
[M+Na]+ 278.089988 166.6
[M-H]- 254.093494 159.8
[M+NH4]+ 273.134593 174.3
[M+K]+ 294.063928 162.6
[M+H-H2O]+ 238.098030 148.0
[M+HCOO]- 300.098971 178.6
[M+CH3COO]- 314.114621 168.8
[M+Na-2H]- 276.075436 163.1
[M]+ 255.10022142 160.1
[M]- 255.10131858 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.