CID 3403455

99541-02-3

Structural Information

Molecular Formula
C18H16N2O4
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C18H16N2O4/c1-22-13-8-9-15(23-2)14(11-13)20-18(21)24-16-7-3-5-12-6-4-10-19-17(12)16/h3-11H,1-2H3,(H,20,21)
InChIKey
QLTOEFHUCJSRLY-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(2,5-dimethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 173.7
[M+Na]+ 347.100218 181.3
[M-H]- 323.103724 180.2
[M+NH4]+ 342.144823 186.9
[M+K]+ 363.074158 178.1
[M+H-H2O]+ 307.108260 163.9
[M+HCOO]- 369.109201 196.0
[M+CH3COO]- 383.124851 209.9
[M+Na-2H]- 345.085666 180.1
[M]+ 324.11045142 177.9
[M]- 324.11154858 177.9
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

No patent data available for this compound.