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 232.8
[M+Na]+ 564.16422 239.8
[M-H]- 540.16772 241.5
[M+NH4]+ 559.20882 231.8
[M+K]+ 580.13816 231.4
[M+H-H2O]+ 524.17226 216.1
[M+HCOO]- 586.17320 247.0
[M+CH3COO]- 600.18885 237.8
[M+Na-2H]- 562.14967 237.6
[M]+ 541.17445 235.4
[M]- 541.17555 235.4
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.