CID 3076527

Benzamide, 4-((7-bromo-4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)-n,n-bis(2-hydroxyethyl)-

Structural Information

Molecular Formula
C25H23BrN4O4
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=O)N2NC4=CC=C(C=C4)C(=O)N(CCO)CCO
InChI
InChI=1S/C25H23BrN4O4/c26-19-8-11-21-22(16-19)27-23(17-4-2-1-3-5-17)30(25(21)34)28-20-9-6-18(7-10-20)24(33)29(12-14-31)13-15-32/h1-11,16,28,31-32H,12-15H2
InChIKey
CLFNDIHPTCGBOV-UHFFFAOYSA-N
Compound name
4-[(7-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-N,N-bis(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.0903 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.09758 212.5
[M+Na]+ 545.07952 219.3
[M-H]- 521.08302 220.8
[M+NH4]+ 540.12412 218.6
[M+K]+ 561.05346 206.8
[M+H-H2O]+ 505.08756 206.6
[M+HCOO]- 567.08850 228.0
[M+CH3COO]- 581.10415 242.0
[M+Na-2H]- 543.06497 216.3
[M]+ 522.08975 231.8
[M]- 522.09085 231.8
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.