CID 9658750

2-methoxy-4-(2-stearoylcarbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C33H47BrN2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C33H47BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(37)36-35-26-27-22-23-30(31(24-27)39-2)40-33(38)28-19-18-20-29(34)25-28/h18-20,22-26H,3-17,21H2,1-2H3,(H,36,37)/b35-26+
InChIKey
SOIIXGGLRRGSDR-MDAYZVFASA-N
Compound name
[2-methoxy-4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.2719 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.27918 249.5
[M+Na]+ 637.26112 251.3
[M-H]- 613.26462 256.1
[M+NH4]+ 632.30572 255.3
[M+K]+ 653.23506 237.4
[M+H-H2O]+ 597.26916 242.5
[M+HCOO]- 659.27010 267.0
[M+CH3COO]- 673.28575 263.8
[M+Na-2H]- 635.24657 245.1
[M]+ 614.27135 275.8
[M]- 614.27245 275.8
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.