CID 135423879

4-(acetylacetonylidene hydrazino)-[(4-nitrophenyl)methylene]benzoic acid hydrazide

Structural Information

Molecular Formula
C19H17N5O5
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])/O
InChI
InChI=1S/C19H17N5O5/c1-12(25)18(13(2)26)22-21-16-7-5-15(6-8-16)19(27)23-20-11-14-3-9-17(10-4-14)24(28)29/h3-11,25H,1-2H3,(H,23,27)/b18-12-,20-11+,22-21?
InChIKey
GSWNVGAMVJTUOS-JGGSHDHLSA-N
Compound name
4-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.12296 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13024 189.3
[M+Na]+ 418.11218 190.8
[M-H]- 394.11568 197.8
[M+NH4]+ 413.15678 198.3
[M+K]+ 434.08612 185.5
[M+H-H2O]+ 378.12022 183.3
[M+HCOO]- 440.12116 217.1
[M+CH3COO]- 454.13681 227.8
[M+Na-2H]- 416.09763 193.1
[M]+ 395.12241 187.9
[M]- 395.12351 187.9
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.