CID 63454

Brn 0863839

Structural Information

Molecular Formula
C22H15BrN4O4
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C22H15BrN4O4/c1-13-25-19-10-5-15(23)11-18(19)22(29)26(13)17-8-6-16(7-9-17)24-12-14-3-2-4-20(21(14)28)27(30)31/h2-12,28H,1H3
InChIKey
DOVUMDHECGRTBW-UHFFFAOYSA-N
Compound name
6-bromo-3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.02768 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03496 203.8
[M+Na]+ 501.01690 213.5
[M-H]- 477.02040 214.4
[M+NH4]+ 496.06150 212.2
[M+K]+ 516.99084 196.6
[M+H-H2O]+ 461.02494 202.1
[M+HCOO]- 523.02588 222.8
[M+CH3COO]- 537.04153 228.9
[M+Na-2H]- 499.00235 210.8
[M]+ 478.02713 222.9
[M]- 478.02823 222.9
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.