CID 9931409

Schembl6698316

Structural Information

Molecular Formula
C23H23ClN2O3
SMILES
C1CC1N2C=C(C(=O)C3=C2C=CC(=C3)CCCO)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H23ClN2O3/c24-17-6-3-16(4-7-17)13-25-23(29)20-14-26(18-8-9-18)21-10-5-15(2-1-11-27)12-19(21)22(20)28/h3-7,10,12,14,18,27H,1-2,8-9,11,13H2,(H,25,29)
InChIKey
WOBWADIRWNXSPI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-(3-hydroxypropyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

410.1397 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14698 193.3
[M+Na]+ 433.12892 202.6
[M-H]- 409.13242 201.2
[M+NH4]+ 428.17352 199.0
[M+K]+ 449.10286 194.2
[M+H-H2O]+ 393.13696 184.6
[M+HCOO]- 455.13790 208.5
[M+CH3COO]- 469.15355 226.2
[M+Na-2H]- 431.11437 195.1
[M]+ 410.13915 199.4
[M]- 410.14025 199.4
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