CID 46071

63982-18-3

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CNC(=O)OC1=C(C2=C(CN(CC2)C)C=C1)OC(=O)NC
InChI
InChI=1S/C14H19N3O4/c1-15-13(18)20-11-5-4-9-8-17(3)7-6-10(9)12(11)21-14(19)16-2/h4-5H,6-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKey
CNDNBHWACLGIKS-UHFFFAOYSA-N
Compound name
[2-methyl-5-(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]+ 294.144816 165.9
[M+Na]+ 316.126758 171.4
[M-H]- 292.130264 168.7
[M+NH4]+ 311.171363 180.6
[M+K]+ 332.100698 170.1
[M+H-H2O]+ 276.134800 158.0
[M+HCOO]- 338.135741 185.7
[M+CH3COO]- 352.151391 206.8
[M+Na-2H]- 314.112206 169.4
[M]+ 293.13699142 166.5
[M]- 293.13808858 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.