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

literature stripe

Patent stripe

patents stripe