CID 9802468

Schembl6697765

Structural Information

Molecular Formula
C24H25ClN2O3
SMILES
CN1C=C(C(=O)C2=C1C=CC(=C2)CC3CCOCC3)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H25ClN2O3/c1-27-15-21(24(29)26-14-17-2-5-19(25)6-3-17)23(28)20-13-18(4-7-22(20)27)12-16-8-10-30-11-9-16/h2-7,13,15-16H,8-12,14H2,1H3,(H,26,29)
InChIKey
XPEVLPSTWXDZGW-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

424.15536 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.16264 203.7
[M+Na]+ 447.14458 210.0
[M-H]- 423.14808 212.5
[M+NH4]+ 442.18918 212.0
[M+K]+ 463.11852 204.0
[M+H-H2O]+ 407.15262 192.8
[M+HCOO]- 469.15356 215.2
[M+CH3COO]- 483.16921 211.8
[M+Na-2H]- 445.13003 204.5
[M]+ 424.15481 204.8
[M]- 424.15591 204.8
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