CID 9669033

4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)2-meo-ph 4-butoxybenzoate

Structural Information

Molecular Formula
C30H33N3O8
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C30H33N3O8/c1-5-6-15-40-23-11-8-21(9-12-23)30(36)41-25-13-7-20(16-26(25)38-3)18-32-33-28(34)19-31-29(35)22-10-14-24(37-2)27(17-22)39-4/h7-14,16-18H,5-6,15,19H2,1-4H3,(H,31,35)(H,33,34)/b32-18+
InChIKey
CJJCMYQBJYHLIQ-KCSSXMTESA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.22675 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.23403 235.6
[M+Na]+ 586.21597 236.9
[M-H]- 562.21947 245.4
[M+NH4]+ 581.26057 238.2
[M+K]+ 602.18991 236.3
[M+H-H2O]+ 546.22401 222.3
[M+HCOO]- 608.22495 258.9
[M+CH3COO]- 622.24060 263.2
[M+Na-2H]- 584.20142 233.7
[M]+ 563.22620 244.9
[M]- 563.22730 244.9
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.