CID 135499611

4-(acetylacetonylidene hydrazino)-[3-(4-dimethylaminophenyl)-2-propenylidene]benzoic acid hydrazide

Structural Information

Molecular Formula
C23H25N5O3
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C=C/C2=CC=C(C=C2)N(C)C)/O
InChI
InChI=1S/C23H25N5O3/c1-16(29)22(17(2)30)26-25-20-11-9-19(10-12-20)23(31)27-24-15-5-6-18-7-13-21(14-8-18)28(3)4/h5-15,29H,1-4H3,(H,27,31)/b6-5+,22-16-,24-15+,26-25?
InChIKey
KCZNSASACSKFBX-GBQRZYGZSA-N
Compound name
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-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

419.19574 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20302 204.7
[M+Na]+ 442.18496 206.2
[M-H]- 418.18846 214.3
[M+NH4]+ 437.22956 214.4
[M+K]+ 458.15890 204.7
[M+H-H2O]+ 402.19300 193.5
[M+HCOO]- 464.19394 232.1
[M+CH3COO]- 478.20959 246.6
[M+Na-2H]- 440.17041 204.2
[M]+ 419.19519 206.1
[M]- 419.19629 206.1
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.