CID 469036

N-(4-oxo-2-phenyl-quinazolin-3-yl)-4-pyrrol-1-yl-benzamide

Structural Information

Molecular Formula
C25H18N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)N5C=CC=C5
InChI
InChI=1S/C25H18N4O2/c30-24(19-12-14-20(15-13-19)28-16-6-7-17-28)27-29-23(18-8-2-1-3-9-18)26-22-11-5-4-10-21(22)25(29)31/h1-17H,(H,27,30)
InChIKey
JUMGRROESNYAQT-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-phenylquinazolin-3-yl)-4-pyrrol-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.14297 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15025 197.2
[M+Na]+ 429.13219 206.0
[M-H]- 405.13569 207.7
[M+NH4]+ 424.17679 205.0
[M+K]+ 445.10613 197.8
[M+H-H2O]+ 389.14023 184.3
[M+HCOO]- 451.14117 218.3
[M+CH3COO]- 465.15682 206.5
[M+Na-2H]- 427.11764 201.6
[M]+ 406.14242 198.3
[M]- 406.14352 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.