CID 3080178

Sr 26276

Structural Information

Molecular Formula
C24H19ClN4O2
SMILES
CN(C1=CC=C(C=C1)Cl)C(=O)CNC2=C3C(=NC=C2C(=O)C4=CC=CC=C4)C=CC=N3
InChI
InChI=1S/C24H19ClN4O2/c1-29(18-11-9-17(25)10-12-18)21(30)15-28-22-19(24(31)16-6-3-2-4-7-16)14-27-20-8-5-13-26-23(20)22/h2-14H,15H2,1H3,(H,27,28)
InChIKey
ZLNIDLJQWLYHAT-UHFFFAOYSA-N
Compound name
2-[(3-benzoyl-1,5-naphthyridin-4-yl)amino]-N-(4-chlorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

430.11966 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12694 201.1
[M+Na]+ 453.10888 207.2
[M-H]- 429.11238 209.5
[M+NH4]+ 448.15348 208.7
[M+K]+ 469.08282 200.6
[M+H-H2O]+ 413.11692 189.0
[M+HCOO]- 475.11786 216.7
[M+CH3COO]- 489.13351 209.3
[M+Na-2H]- 451.09433 205.3
[M]+ 430.11911 204.1
[M]- 430.12021 204.1
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