CID 135499609

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

Structural Information

Molecular Formula
C19H17FN4O3
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)F)/O
InChI
InChI=1S/C19H17FN4O3/c1-12(25)18(13(2)26)23-22-17-9-5-15(6-10-17)19(27)24-21-11-14-3-7-16(20)8-4-14/h3-11,25H,1-2H3,(H,24,27)/b18-12-,21-11+,23-22?
InChIKey
IEIYQTMPTMRYKC-VVEPLUGTSA-N
Compound name
N-[(E)-(4-fluorophenyl)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

368.12848 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13576 186.4
[M+Na]+ 391.11770 190.3
[M-H]- 367.12120 194.1
[M+NH4]+ 386.16230 198.0
[M+K]+ 407.09164 187.9
[M+H-H2O]+ 351.12574 175.5
[M+HCOO]- 413.12668 212.6
[M+CH3COO]- 427.14233 230.4
[M+Na-2H]- 389.10315 187.6
[M]+ 368.12793 185.7
[M]- 368.12903 185.7
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.