CID 3078000

Brn 4896210

Structural Information

Molecular Formula
C32H23N5O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1NC(=O)COC3=CC=C(C=C3)C(=O)C4=C(N=C5C(=C4)C=CC=N5)C6=CC=CC=C6
InChI
InChI=1S/C32H23N5O4/c1-20-34-27-12-6-5-11-25(27)32(40)37(20)36-28(38)19-41-24-15-13-22(14-16-24)30(39)26-18-23-10-7-17-33-31(23)35-29(26)21-8-3-2-4-9-21/h2-18H,19H2,1H3,(H,36,38)
InChIKey
XNEKSLZEFCIWBC-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-oxoquinazolin-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

541.175 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.18228 231.6
[M+Na]+ 564.16422 251.3
[M+NH4]+ 559.20882 236.6
[M+K]+ 580.13816 241.4
[M-H]- 540.16772 239.7
[M+Na-2H]- 562.14967 243.3
[M]+ 541.17445 236.9
[M]- 541.17555 236.9
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.