CID 3333370

8-quinolinyl n-(2,4-dimethoxyphenyl)carbamate

Structural Information

Molecular Formula
C18H16N2O4
SMILES
COC1=CC(=C(C=C1)NC(=O)OC2=CC=CC3=C2N=CC=C3)OC
InChI
InChI=1S/C18H16N2O4/c1-22-13-8-9-14(16(11-13)23-2)20-18(21)24-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3,(H,20,21)
InChIKey
XBOSJWMCVPRIIZ-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(2,4-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]+ 325.11828 173.7
[M+Na]+ 347.10022 181.3
[M-H]- 323.10372 180.2
[M+NH4]+ 342.14482 186.9
[M+K]+ 363.07416 178.1
[M+H-H2O]+ 307.10826 163.9
[M+HCOO]- 369.10920 196.0
[M+CH3COO]- 383.12485 209.9
[M+Na-2H]- 345.08567 180.1
[M]+ 324.11045 177.9
[M]- 324.11155 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

patents stripe