CID 46073

Isoquinoline, 2-methyl-1,2,3,4-tetrahydro-6,7-bis(n-methylcarbamyloxy) hydrochloride

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CNC(=O)OC1=C(C=C2CN(CCC2=C1)C)OC(=O)NC
InChI
InChI=1S/C14H19N3O4/c1-15-13(18)20-11-6-9-4-5-17(3)8-10(9)7-12(11)21-14(19)16-2/h6-7H,4-5,8H2,1-3H3,(H,15,18)(H,16,19)
InChIKey
XODJMXBGZNNLGC-UHFFFAOYSA-N
Compound name
[2-methyl-7-(methylcarbamoyloxy)-3,4-dihydro-1H-isoquinolin-6-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 165.9
[M+Na]+ 316.12676 171.4
[M-H]- 292.13026 168.7
[M+NH4]+ 311.17136 180.6
[M+K]+ 332.10070 170.1
[M+H-H2O]+ 276.13480 158.0
[M+HCOO]- 338.13574 185.7
[M+CH3COO]- 352.15139 206.8
[M+Na-2H]- 314.11221 169.4
[M]+ 293.13699 166.5
[M]- 293.13809 166.5
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.