CID 3051755

67814-71-5

Structural Information

Molecular Formula
C25H47NO4
SMILES
CCCCCCCCCCCCOCCCNC(=O)[C@H]1CC[C@@](C1(C)C)(C)C(=O)O
InChI
InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-19-30-20-15-18-26-22(27)21-16-17-25(4,23(28)29)24(21,2)3/h21H,5-20H2,1-4H3,(H,26,27)(H,28,29)/t21-,25+/m1/s1
InChIKey
QWWQYVSPQDWWTP-BWKNWUBXSA-N
Compound name
(1R,3S)-3-(3-dodecoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.3505 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.35778 210.3
[M+Na]+ 448.33972 213.6
[M+NH4]+ 443.38432 216.1
[M+K]+ 464.31366 206.0
[M-H]- 424.34322 208.3
[M+Na-2H]- 446.32517 210.7
[M]+ 425.34995 209.9
[M]- 425.35105 209.9
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.