CID 3076530

Morpholine, 4-(4-((7-bromo-4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C25H21BrN4O3
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C25H21BrN4O3/c26-19-8-11-21-22(16-19)27-23(17-4-2-1-3-5-17)30(25(21)32)28-20-9-6-18(7-10-20)24(31)29-12-14-33-15-13-29/h1-11,16,28H,12-15H2
InChIKey
GFYGWUJRUSTCJA-UHFFFAOYSA-N
Compound name
7-bromo-3-[4-(morpholine-4-carbonyl)anilino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.0797 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.08698 213.0
[M+Na]+ 527.06892 220.3
[M-H]- 503.07242 224.0
[M+NH4]+ 522.11352 217.6
[M+K]+ 543.04286 208.5
[M+H-H2O]+ 487.07696 206.4
[M+HCOO]- 549.07790 224.6
[M+CH3COO]- 563.09355 221.0
[M+Na-2H]- 525.05437 216.6
[M]+ 504.07915 228.3
[M]- 504.08025 228.3
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.