CID 379433

101831-70-3

Structural Information

Molecular Formula
C32H55NO4
SMILES
CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)CCCCCCCCCCC)OC
InChI
InChI=1S/C32H55NO4/c1-4-6-8-10-12-14-16-18-20-22-31(34)33-27-28-24-25-29(30(26-28)36-3)37-32(35)23-21-19-17-15-13-11-9-7-5-2/h24-26H,4-23,27H2,1-3H3,(H,33,34)
InChIKey
LXMZJNLZSXKQCB-UHFFFAOYSA-N
Compound name
[4-[(dodecanoylamino)methyl]-2-methoxyphenyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.4131 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.42038 241.5
[M+Na]+ 540.40232 239.7
[M-H]- 516.40582 241.2
[M+NH4]+ 535.44692 236.0
[M+K]+ 556.37626 234.5
[M+H-H2O]+ 500.41036 230.9
[M+HCOO]- 562.41130 245.6
[M+CH3COO]- 576.42695 253.3
[M+Na-2H]- 538.38777 234.1
[M]+ 517.41255 252.6
[M]- 517.41365 252.6
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.