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

0
Patents

328.06146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 172.1
[M+Na]+ 351.05068 181.3
[M-H]- 327.05418 178.6
[M+NH4]+ 346.09528 186.3
[M+K]+ 367.02462 176.0
[M+H-H2O]+ 311.05872 163.5
[M+HCOO]- 373.05966 190.1
[M+CH3COO]- 387.07531 208.4
[M+Na-2H]- 349.03613 178.6
[M]+ 328.06091 177.0
[M]- 328.06201 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