CID 3080180

Sr 26731

Structural Information

Molecular Formula
C25H21ClN4O2
SMILES
CN(C1=CC=C(C=C1)Cl)C(=O)CCNC2=C3C(=NC=C2C(=O)C4=CC=CC=C4)C=CC=N3
InChI
InChI=1S/C25H21ClN4O2/c1-30(19-11-9-18(26)10-12-19)22(31)13-15-28-23-20(25(32)17-6-3-2-4-7-17)16-29-21-8-5-14-27-24(21)23/h2-12,14,16H,13,15H2,1H3,(H,28,29)
InChIKey
LKSZEFPLGWQNOJ-UHFFFAOYSA-N
Compound name
3-[(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

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14258 205.5
[M+Na]+ 467.12452 211.1
[M-H]- 443.12802 213.7
[M+NH4]+ 462.16912 212.5
[M+K]+ 483.09846 204.4
[M+H-H2O]+ 427.13256 193.2
[M+HCOO]- 489.13350 220.7
[M+CH3COO]- 503.14915 213.2
[M+Na-2H]- 465.10997 209.2
[M]+ 444.13475 208.8
[M]- 444.13585 208.8
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

No patent data available for this compound.