CID 3080179

Sr 26455

Structural Information

Molecular Formula
C25H21ClN4O2
SMILES
CC(C(=O)N(C)C1=CC=C(C=C1)Cl)NC2=C3C(=NC=C2C(=O)C4=CC=CC=C4)C=CC=N3
InChI
InChI=1S/C25H21ClN4O2/c1-16(25(32)30(2)19-12-10-18(26)11-13-19)29-22-20(24(31)17-7-4-3-5-8-17)15-28-21-9-6-14-27-23(21)22/h3-16H,1-2H3,(H,28,29)
InChIKey
ZGZILBIRQVKWGL-UHFFFAOYSA-N
Compound name
2-[(3-benzoyl-1,5-naphthyridin-4-yl)amino]-N-(4-chlorophenyl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1353 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14258 204.6
[M+Na]+ 467.12452 209.9
[M-H]- 443.12802 213.0
[M+NH4]+ 462.16912 211.6
[M+K]+ 483.09846 203.9
[M+H-H2O]+ 427.13256 192.7
[M+HCOO]- 489.13350 219.0
[M+CH3COO]- 503.14915 212.3
[M+Na-2H]- 465.10997 207.4
[M]+ 444.13475 207.6
[M]- 444.13585 207.6
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.