CID 16073921

Schembl6698214

Structural Information

Molecular Formula
C18H15ClN2O3
SMILES
CON1C=C(C(=O)C2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClN2O3/c1-24-21-11-15(17(22)14-4-2-3-5-16(14)21)18(23)20-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,20,23)
InChIKey
OPVUBHOQNAECDH-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-methoxy-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

342.07712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08440 176.4
[M+Na]+ 365.06634 186.1
[M-H]- 341.06984 183.0
[M+NH4]+ 360.11094 190.1
[M+K]+ 381.04028 180.2
[M+H-H2O]+ 325.07438 167.8
[M+HCOO]- 387.07532 194.1
[M+CH3COO]- 401.09097 212.6
[M+Na-2H]- 363.05179 181.5
[M]+ 342.07657 181.4
[M]- 342.07767 181.4
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