CID 9611558

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

Structural Information

Molecular Formula
C29H38ClN3O5
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC
InChI
InChI=1S/C29H38ClN3O5/c1-3-4-5-6-7-8-9-10-11-16-27(34)31-21-28(35)33-32-20-22-17-18-25(26(19-22)37-2)38-29(36)23-14-12-13-15-24(23)30/h12-15,17-20H,3-11,16,21H2,1-2H3,(H,31,34)(H,33,35)/b32-20+
InChIKey
FLPGYTHFLZBDTI-UZWMFBFFSA-N
Compound name
[4-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.25 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.25728 236.6
[M+Na]+ 566.23922 237.7
[M-H]- 542.24272 242.5
[M+NH4]+ 561.28382 241.9
[M+K]+ 582.21316 232.6
[M+H-H2O]+ 526.24726 225.9
[M+HCOO]- 588.24820 254.7
[M+CH3COO]- 602.26385 258.1
[M+Na-2H]- 564.22467 232.9
[M]+ 543.24945 246.3
[M]- 543.25055 246.3
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.