CID 9630470

4-(2-((decanoylamino)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C27H34ClN3O5
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC
InChI
InChI=1S/C27H34ClN3O5/c1-3-4-5-6-7-8-9-14-25(32)29-19-26(33)31-30-18-20-15-16-23(24(17-20)35-2)36-27(34)21-12-10-11-13-22(21)28/h10-13,15-18H,3-9,14,19H2,1-2H3,(H,29,32)(H,31,33)/b30-18+
InChIKey
BWZWISULDGKKKM-UXHLAJHPSA-N
Compound name
[4-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.2187 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.22598 228.0
[M+Na]+ 538.20792 230.0
[M-H]- 514.21142 234.3
[M+NH4]+ 533.25252 234.5
[M+K]+ 554.18186 225.3
[M+H-H2O]+ 498.21596 217.7
[M+HCOO]- 560.21690 246.8
[M+CH3COO]- 574.23255 252.4
[M+Na-2H]- 536.19337 225.2
[M]+ 515.21815 237.0
[M]- 515.21925 237.0
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.