CID 63458

Brn 0858086

Structural Information

Molecular Formula
C22H16N4O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C22H16N4O4/c1-14-24-19-7-3-2-6-18(19)22(28)25(14)17-11-9-16(10-12-17)23-13-15-5-4-8-20(21(15)27)26(29)30/h2-13,27H,1H3
InChIKey
YEZIBEWAUYSBJA-UHFFFAOYSA-N
Compound name
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

400.11716 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12444 194.7
[M+Na]+ 423.10638 202.2
[M-H]- 399.10988 203.3
[M+NH4]+ 418.15098 202.0
[M+K]+ 439.08032 191.7
[M+H-H2O]+ 383.11442 186.7
[M+HCOO]- 445.11536 216.4
[M+CH3COO]- 459.13101 220.7
[M+Na-2H]- 421.09183 202.1
[M]+ 400.11661 194.5
[M]- 400.11771 194.5
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.