CID 9589246

126293-47-8

Structural Information

Molecular Formula
C23H15ClN4O3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2/N=C/C4=CC=CC=C4Cl
InChI
InChI=1S/C23H15ClN4O3/c24-20-9-5-4-8-18(20)15-25-27-22(17-6-2-1-3-7-17)26-21(23(27)29)14-16-10-12-19(13-11-16)28(30)31/h1-15H/b21-14-,25-15+
InChIKey
SJSJOAGBNGFFIB-JPCQLYNOSA-N
Compound name
(5Z)-3-[(E)-(2-chlorophenyl)methylideneamino]-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.08328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09056 205.8
[M+Na]+ 453.07250 212.2
[M-H]- 429.07600 216.9
[M+NH4]+ 448.11710 213.6
[M+K]+ 469.04644 200.1
[M+H-H2O]+ 413.08054 197.9
[M+HCOO]- 475.08148 225.0
[M+CH3COO]- 489.09713 222.8
[M+Na-2H]- 451.05795 208.2
[M]+ 430.08273 205.7
[M]- 430.08383 205.7
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.