CID 6444890

Brn 2918288

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]+ 397.15065 193.6
[M+Na]+ 419.13259 195.4
[M-H]- 395.13609 199.3
[M+NH4]+ 414.17719 202.2
[M+K]+ 435.10653 193.8
[M+H-H2O]+ 379.14063 183.8
[M+HCOO]- 441.14157 216.2
[M+CH3COO]- 455.15722 231.0
[M+Na-2H]- 417.11804 192.1
[M]+ 396.14282 191.7
[M]- 396.14392 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.