CID 6444890

Cinnamic acid, alpha-(p-acetamidobenzamido)-o-hydroxy-, hydrazide, acetate (ester)

Structural Information

Molecular Formula
C20H20N4O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2OC(=O)C)/C(=O)NN
InChI
InChI=1S/C20H20N4O5/c1-12(25)22-16-9-7-14(8-10-16)19(27)23-17(20(28)24-21)11-15-5-3-4-6-18(15)29-13(2)26/h3-11H,21H2,1-2H3,(H,22,25)(H,23,27)(H,24,28)/b17-11-
InChIKey
WKROTSJAWQFSRL-BOPFTXTBSA-N
Compound name
[2-[(Z)-2-[(4-acetamidobenzoyl)amino]-3-hydrazinyl-3-oxoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14337 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.150646 193.6
[M+Na]+ 419.132588 195.4
[M-H]- 395.136094 199.3
[M+NH4]+ 414.177193 202.2
[M+K]+ 435.106528 193.8
[M+H-H2O]+ 379.140630 183.8
[M+HCOO]- 441.141571 216.2
[M+CH3COO]- 455.157221 231.0
[M+Na-2H]- 417.118036 192.1
[M]+ 396.14282142 191.7
[M]- 396.14391858 191.7
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.