CID 135467799

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

Structural Information

Molecular Formula
C21H23N5O3
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)N(C)C)/O
InChI
InChI=1S/C21H23N5O3/c1-14(27)20(15(2)28)24-23-18-9-7-17(8-10-18)21(29)25-22-13-16-5-11-19(12-6-16)26(3)4/h5-13,27H,1-4H3,(H,25,29)/b20-14-,22-13+,24-23?
InChIKey
UQAYUWRYNYEDLE-HJEXVBOCSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-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

393.18008 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 196.7
[M+Na]+ 416.16930 198.8
[M-H]- 392.17280 206.7
[M+NH4]+ 411.21390 207.4
[M+K]+ 432.14324 198.2
[M+H-H2O]+ 376.17734 185.8
[M+HCOO]- 438.17828 224.6
[M+CH3COO]- 452.19393 242.2
[M+Na-2H]- 414.15475 197.2
[M]+ 393.17953 198.2
[M]- 393.18063 198.2
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.