CID 4137087

2-methyl-8-quinolyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
CC1=NC2=C(C=CC=C2OC(=O)NC3=CC(=CC=C3)Cl)C=C1
InChI
InChI=1S/C17H13ClN2O2/c1-11-8-9-12-4-2-7-15(16(12)19-11)22-17(21)20-14-6-3-5-13(18)10-14/h2-10H,1H3,(H,20,21)
InChIKey
SMMFIDSDOVGSMH-UHFFFAOYSA-N
Compound name
(2-methylquinolin-8-yl) N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.073836 169.5
[M+Na]+ 335.055778 178.9
[M-H]- 311.059284 175.9
[M+NH4]+ 330.100383 184.4
[M+K]+ 351.029718 172.9
[M+H-H2O]+ 295.063820 161.1
[M+HCOO]- 357.064761 187.3
[M+CH3COO]- 371.080411 181.1
[M+Na-2H]- 333.041226 175.8
[M]+ 312.06601142 173.0
[M]- 312.06710858 173.0
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

No patent data available for this compound.