CID 9625269

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

Structural Information

Molecular Formula
C30H39Cl2N3O4
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C30H39Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-28(36)33-22-29(37)35-34-21-23-14-17-25(18-15-23)39-30(38)26-19-16-24(31)20-27(26)32/h14-21H,2-13,22H2,1H3,(H,33,36)(H,35,37)/b34-21+
InChIKey
ZFGXNCRGASINPG-KEIPNQJHSA-N
Compound name
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.23175 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.23903 244.2
[M+Na]+ 598.22097 245.6
[M-H]- 574.22447 249.3
[M+NH4]+ 593.26557 249.0
[M+K]+ 614.19491 238.3
[M+H-H2O]+ 558.22901 234.5
[M+HCOO]- 620.22995 256.9
[M+CH3COO]- 634.24560 261.9
[M+Na-2H]- 596.20642 239.1
[M]+ 575.23120 254.3
[M]- 575.23230 254.3
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.