CID 9633519

4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C28H29N3O7
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C28H29N3O7/c1-4-15-37-22-12-7-20(8-13-22)28(34)38-23-10-5-19(6-11-23)17-30-31-26(32)18-29-27(33)21-9-14-24(35-2)25(16-21)36-3/h5-14,16-17H,4,15,18H2,1-3H3,(H,29,33)(H,31,32)/b30-17+
InChIKey
NROUDUBQSXBQCN-OCSSWDANSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.20056 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.20784 224.7
[M+Na]+ 542.18978 226.4
[M-H]- 518.19328 234.6
[M+NH4]+ 537.23438 229.1
[M+K]+ 558.16372 225.1
[M+H-H2O]+ 502.19782 211.9
[M+HCOO]- 564.19876 248.7
[M+CH3COO]- 578.21441 254.0
[M+Na-2H]- 540.17523 224.2
[M]+ 519.20001 231.6
[M]- 519.20111 231.6
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.