CID 490485

Schembl6698319

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
C1=CC(=CC=C1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)CCCO)N)Cl
InChI
InChI=1S/C20H20ClN3O3/c21-15-6-3-14(4-7-15)11-23-20(27)17-12-24(22)18-8-5-13(2-1-9-25)10-16(18)19(17)26/h3-8,10,12,25H,1-2,9,11,22H2,(H,23,27)
InChIKey
DLTGAXJNFQDWSD-UHFFFAOYSA-N
Compound name
1-amino-N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

385.11932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 190.1
[M+Na]+ 408.10854 198.5
[M-H]- 384.11204 194.8
[M+NH4]+ 403.15314 201.0
[M+K]+ 424.08248 191.3
[M+H-H2O]+ 368.11658 181.5
[M+HCOO]- 430.11752 206.1
[M+CH3COO]- 444.13317 222.3
[M+Na-2H]- 406.09399 192.5
[M]+ 385.11877 192.9
[M]- 385.11987 192.9
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