CID 16073919

Schembl6672027

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
CN(C)N1C=C(C(=O)C2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClN3O2/c1-22(2)23-12-16(18(24)15-5-3-4-6-17(15)23)19(25)21-11-13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKey
ZZBRKWVIMFATAM-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

355.10876 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 182.2
[M+Na]+ 378.09798 190.9
[M-H]- 354.10148 189.9
[M+NH4]+ 373.14258 195.7
[M+K]+ 394.07192 185.4
[M+H-H2O]+ 338.10602 173.1
[M+HCOO]- 400.10696 200.9
[M+CH3COO]- 414.12261 221.7
[M+Na-2H]- 376.08343 186.4
[M]+ 355.10821 186.8
[M]- 355.10931 186.8
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