CID 6876966

Methyl 4-(2-{[(3,4-dimethoxybenzoyl)amino]acetyl}carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C20H21N3O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC)OC
InChI
InChI=1S/C20H21N3O6/c1-27-16-9-8-15(10-17(16)28-2)19(25)21-12-18(24)23-22-11-13-4-6-14(7-5-13)20(26)29-3/h4-11H,12H2,1-3H3,(H,21,25)(H,23,24)/b22-11+
InChIKey
OXBRXTKHWKZFRA-SSDVNMTOSA-N
Compound name
methyl 4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14304 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15032 192.5
[M+Na]+ 422.13226 196.5
[M-H]- 398.13576 200.3
[M+NH4]+ 417.17686 202.6
[M+K]+ 438.10620 195.7
[M+H-H2O]+ 382.14030 182.3
[M+HCOO]- 444.14124 218.2
[M+CH3COO]- 458.15689 231.0
[M+Na-2H]- 420.11771 193.8
[M]+ 399.14249 197.9
[M]- 399.14359 197.9
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.