CID 6444899

Brn 2917505

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]+ 396.16664 194.4
[M+Na]+ 418.14858 195.5
[M-H]- 394.15208 200.0
[M+NH4]+ 413.19318 202.7
[M+K]+ 434.12252 193.6
[M+H-H2O]+ 378.15662 184.4
[M+HCOO]- 440.15756 217.8
[M+CH3COO]- 454.17321 234.3
[M+Na-2H]- 416.13403 193.3
[M]+ 395.15881 190.4
[M]- 395.15991 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.