CID 4424232

8-quinolyl n-(2-chloro-4-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
COC1=CC(=C(C=C1)NC(=O)OC2=CC=CC3=C2N=CC=C3)Cl
InChI
InChI=1S/C17H13ClN2O3/c1-22-12-7-8-14(13(18)10-12)20-17(21)23-15-6-2-4-11-5-3-9-19-16(11)15/h2-10H,1H3,(H,20,21)
InChIKey
IMKSMDRQAHLXNZ-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(2-chloro-4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.06146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.068736 172.1
[M+Na]+ 351.050678 181.3
[M-H]- 327.054184 178.6
[M+NH4]+ 346.095283 186.3
[M+K]+ 367.024618 176.0
[M+H-H2O]+ 311.058720 163.5
[M+HCOO]- 373.059661 190.1
[M+CH3COO]- 387.075311 208.4
[M+Na-2H]- 349.036126 178.6
[M]+ 328.06091142 177.0
[M]- 328.06200858 177.0
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

patents stripe