CID 6444900

28272-08-4

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C=C\C2=CC=CC=C2)/C(=O)NN
InChI
InChI=1S/C20H20N4O3/c1-14(25)22-17-12-10-16(11-13-17)19(26)23-18(20(27)24-21)9-5-8-15-6-3-2-4-7-15/h2-13H,21H2,1H3,(H,22,25)(H,23,26)(H,24,27)/b8-5+,18-9-
InChIKey
NJOPSSVTCWKNBS-WCTLISOUSA-N
Compound name
4-acetamido-N-[(2Z,4E)-1-hydrazinyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.160806 188.0
[M+Na]+ 387.142748 189.7
[M-H]- 363.146254 193.3
[M+NH4]+ 382.187353 197.9
[M+K]+ 403.116688 185.7
[M+H-H2O]+ 347.150790 178.4
[M+HCOO]- 409.151731 211.4
[M+CH3COO]- 423.167381 224.0
[M+Na-2H]- 385.128196 188.2
[M]+ 364.15298142 183.6
[M]- 364.15407858 183.6
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.