CID 6444899

28272-07-3

Structural Information

Molecular Formula
C20H21N5O4
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C(/C(=O)NN)\NC(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C20H21N5O4/c1-12(26)22-16-7-3-14(4-8-16)11-18(20(29)25-21)24-19(28)15-5-9-17(10-6-15)23-13(2)27/h3-11H,21H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)(H,25,29)/b18-11-
InChIKey
XAOBTEPRCSVBDV-WQRHYEAKSA-N
Compound name
4-acetamido-N-[(Z)-1-(4-acetamidophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15936 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.166636 194.4
[M+Na]+ 418.148578 195.5
[M-H]- 394.152084 200.0
[M+NH4]+ 413.193183 202.7
[M+K]+ 434.122518 193.6
[M+H-H2O]+ 378.156620 184.4
[M+HCOO]- 440.157561 217.8
[M+CH3COO]- 454.173211 234.3
[M+Na-2H]- 416.134026 193.3
[M]+ 395.15881142 190.4
[M]- 395.15990858 190.4
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.