CID 16073870

Schembl6694734

Structural Information

Molecular Formula
C20H17ClN2O2
SMILES
CN1C=C(C(=O)C2=C1C=CC(=C2)C=C)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17ClN2O2/c1-3-13-6-9-18-16(10-13)19(24)17(12-23(18)2)20(25)22-11-14-4-7-15(21)8-5-14/h3-10,12H,1,11H2,2H3,(H,22,25)
InChIKey
QJHTTYLXKHXYSV-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-6-ethenyl-1-methyl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

352.09787 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10515 182.1
[M+Na]+ 375.08709 192.3
[M-H]- 351.09059 188.7
[M+NH4]+ 370.13169 195.7
[M+K]+ 391.06103 184.7
[M+H-H2O]+ 335.09513 173.6
[M+HCOO]- 397.09607 199.1
[M+CH3COO]- 411.11172 216.8
[M+Na-2H]- 373.07254 185.2
[M]+ 352.09732 186.1
[M]- 352.09842 186.1
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