CID 9644741

4-(2-((dodecanoylamino)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H35Cl2N3O4
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C28H35Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-11-26(34)31-20-27(35)33-32-19-21-12-15-23(16-13-21)37-28(36)24-17-14-22(29)18-25(24)30/h12-19H,2-11,20H2,1H3,(H,31,34)(H,33,35)/b32-19+
InChIKey
SDINMCKYEVEFML-BIZUNTBRSA-N
Compound name
[4-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.20044 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.20772 235.7
[M+Na]+ 570.18966 238.0
[M-H]- 546.19316 241.2
[M+NH4]+ 565.23426 241.7
[M+K]+ 586.16360 231.1
[M+H-H2O]+ 530.19770 226.4
[M+HCOO]- 592.19864 249.1
[M+CH3COO]- 606.21429 256.3
[M+Na-2H]- 568.17511 231.6
[M]+ 547.19989 245.2
[M]- 547.20099 245.2
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.