CID 5387472

Nsc623910

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC(=CC(=C1)N)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H13N3O2/c17-12-6-4-11(5-7-12)15-19-14(16(20)21-15)9-10-2-1-3-13(18)8-10/h1-9H,17-18H2/b14-9-
InChIKey
BMYBBEVYUGMUQA-ZROIWOOFSA-N
Compound name
(4Z)-2-(4-aminophenyl)-4-[(3-aminophenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 164.4
[M+Na]+ 302.08999 173.1
[M-H]- 278.09349 173.6
[M+NH4]+ 297.13459 178.5
[M+K]+ 318.06393 168.3
[M+H-H2O]+ 262.09803 155.7
[M+HCOO]- 324.09897 188.3
[M+CH3COO]- 338.11462 176.5
[M+Na-2H]- 300.07544 166.9
[M]+ 279.10022 161.9
[M]- 279.10132 161.9
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.