CID 6449387

136603-25-3

Structural Information

Molecular Formula
C39H27N5O4
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2NC(=O)COC4=CC=C(C=C4)C(=O)C5=C(N=C6C(=C5)C=CC=N6)C7=CC=CC=C7
InChI
InChI=1S/C39H27N5O4/c45-35(43-44-34(22-17-26-10-3-1-4-11-26)41-33-16-8-7-15-31(33)39(44)47)25-48-30-20-18-28(19-21-30)37(46)32-24-29-14-9-23-40-38(29)42-36(32)27-12-5-2-6-13-27/h1-24H,25H2,(H,43,45)/b22-17+
InChIKey
ORPWERZMTZUAAS-OQKWZONESA-N
Compound name
N-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.2063 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.21358 252.9
[M+Na]+ 652.19552 257.4
[M-H]- 628.19902 263.1
[M+NH4]+ 647.24012 247.2
[M+K]+ 668.16946 247.6
[M+H-H2O]+ 612.20356 233.9
[M+HCOO]- 674.20450 265.1
[M+CH3COO]- 688.22015 255.3
[M+Na-2H]- 650.18097 256.5
[M]+ 629.20575 253.2
[M]- 629.20685 253.2
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.