CID 3329723

8-quinolyl n-(2-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC=CC=C1NC(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-21-14-9-3-2-8-13(14)19-17(20)22-15-10-4-6-12-7-5-11-18-16(12)15/h2-11H,1H3,(H,19,20)
InChIKey
JBVRTTHNWJYOJW-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

294.10043 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.8
[M+Na]+ 317.08965 173.2
[M-H]- 293.09315 172.1
[M+NH4]+ 312.13425 180.1
[M+K]+ 333.06359 169.5
[M+H-H2O]+ 277.09769 156.4
[M+HCOO]- 339.09863 188.4
[M+CH3COO]- 353.11428 203.5
[M+Na-2H]- 315.07510 173.5
[M]+ 294.09988 167.9
[M]- 294.10098 167.9
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