CID 9665752

2-methoxy-4-(2-stearoylcarbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C33H47ClN2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC
InChI
InChI=1S/C33H47ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32(37)36-35-26-27-23-24-30(31(25-27)39-2)40-33(38)28-20-18-19-21-29(28)34/h18-21,23-26H,3-17,22H2,1-2H3,(H,36,37)/b35-26+
InChIKey
IYTULPYGCLJUSJ-MDAYZVFASA-N
Compound name
[2-methoxy-4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.32245 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.32973 249.2
[M+Na]+ 593.31167 249.5
[M-H]- 569.31517 254.1
[M+NH4]+ 588.35627 253.8
[M+K]+ 609.28561 242.5
[M+H-H2O]+ 553.31971 237.8
[M+HCOO]- 615.32065 265.3
[M+CH3COO]- 629.33630 262.6
[M+Na-2H]- 591.29712 243.6
[M]+ 570.32190 260.8
[M]- 570.32300 260.8
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.