CID 492406

Pnu-183792

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
CN1C=C(C(=O)C2=C1C=CC(=C2)CN3CCOCC3)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
InChIKey
SXLQSQMKOYVAAW-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

25
Patents

425.1506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 203.6
[M+Na]+ 448.13982 210.2
[M-H]- 424.14332 211.1
[M+NH4]+ 443.18442 210.4
[M+K]+ 464.11376 204.2
[M+H-H2O]+ 408.14786 191.8
[M+HCOO]- 470.14880 213.9
[M+CH3COO]- 484.16445 211.3
[M+Na-2H]- 446.12527 205.0
[M]+ 425.15005 204.7
[M]- 425.15115 204.7
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

No patent data available for this compound.