CID 135467751

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

Structural Information

Molecular Formula
C18H17N5O3
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=NC=C2)/O
InChI
InChI=1S/C18H17N5O3/c1-12(24)17(13(2)25)22-21-16-5-3-15(4-6-16)18(26)23-20-11-14-7-9-19-10-8-14/h3-11,24H,1-2H3,(H,23,26)/b17-12-,20-11+,22-21?
InChIKey
KQLAEIBFMYEFRN-XYVIZWJKSA-N
Compound name
4-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.13315 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14043 182.4
[M+Na]+ 374.12237 185.6
[M-H]- 350.12587 190.0
[M+NH4]+ 369.16697 193.0
[M+K]+ 390.09631 183.6
[M+H-H2O]+ 334.13041 171.6
[M+HCOO]- 396.13135 208.7
[M+CH3COO]- 410.14700 226.2
[M+Na-2H]- 372.10782 185.9
[M]+ 351.13260 182.5
[M]- 351.13370 182.5
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.