CID 9556295

Nsc685848

Structural Information

Molecular Formula
C21H14N4O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2/N=C/C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C21H14N4O3/c26-21-17-11-5-6-12-18(17)23-20(15-8-2-1-3-9-15)24(21)22-14-16-10-4-7-13-19(16)25(27)28/h1-14H/b22-14+
InChIKey
OLFBCAHNOFQEPC-HYARGMPZSA-N
Compound name
3-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11388 186.3
[M+Na]+ 393.09582 193.2
[M-H]- 369.09932 195.5
[M+NH4]+ 388.14042 195.0
[M+K]+ 409.06976 182.8
[M+H-H2O]+ 353.10386 178.0
[M+HCOO]- 415.10480 209.8
[M+CH3COO]- 429.12045 215.6
[M+Na-2H]- 391.08127 195.7
[M]+ 370.10605 185.4
[M]- 370.10715 185.4
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.