CID 6444893

Brn 2923567

Structural Information

Molecular Formula
C21H22N4O6
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2)OC(=O)C)OC)/C(=O)NN
InChI
InChI=1S/C21H22N4O6/c1-12(26)23-16-7-5-15(6-8-16)20(28)24-17(21(29)25-22)10-14-4-9-18(31-13(2)27)19(11-14)30-3/h4-11H,22H2,1-3H3,(H,23,26)(H,24,28)(H,25,29)/b17-10-
InChIKey
YFHRXODKODZMPL-YVLHZVERSA-N
Compound name
[4-[(Z)-2-[(4-acetamidobenzoyl)amino]-3-hydrazinyl-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.15393 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16121 200.4
[M+Na]+ 449.14315 202.4
[M-H]- 425.14665 206.3
[M+NH4]+ 444.18775 207.9
[M+K]+ 465.11709 201.6
[M+H-H2O]+ 409.15119 190.4
[M+HCOO]- 471.15213 222.8
[M+CH3COO]- 485.16778 237.7
[M+Na-2H]- 447.12860 198.0
[M]+ 426.15338 200.7
[M]- 426.15448 200.7
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.