CID 135497240

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

Structural Information

Molecular Formula
C19H18N4O3
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2)/O
InChI
InChI=1S/C19H18N4O3/c1-13(24)18(14(2)25)22-21-17-10-8-16(9-11-17)19(26)23-20-12-15-6-4-3-5-7-15/h3-12,24H,1-2H3,(H,23,26)/b18-13-,20-12+,22-21?
InChIKey
KNQMGDWJWLPJKB-FFZRCQOISA-N
Compound name
N-[(E)-benzylideneamino]-4-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 183.4
[M+Na]+ 373.12710 186.2
[M-H]- 349.13060 192.1
[M+NH4]+ 368.17170 195.4
[M+K]+ 389.10104 184.2
[M+H-H2O]+ 333.13514 173.2
[M+HCOO]- 395.13608 210.6
[M+CH3COO]- 409.15173 226.5
[M+Na-2H]- 371.11255 185.9
[M]+ 350.13733 183.3
[M]- 350.13843 183.3
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.