CID 3051762

Dtxsid20218084

Structural Information

Molecular Formula
C20H29NO5
SMILES
C[C@]1(CC[C@@H](C1(C)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O
InChI
InChI=1S/C20H29NO5/c1-19(2)14(8-10-20(19,3)18(23)24)17(22)21-11-9-13-6-7-15(25-4)16(12-13)26-5/h6-7,12,14H,8-11H2,1-5H3,(H,21,22)(H,23,24)/t14-,20+/m1/s1
InChIKey
UZXPILLFZHIEKB-VLIAUNLRSA-N
Compound name
(1R,3S)-3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.20456 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21184 185.5
[M+Na]+ 386.19378 193.0
[M+NH4]+ 381.23838 192.9
[M+K]+ 402.16772 187.1
[M-H]- 362.19728 186.3
[M+Na-2H]- 384.17923 190.5
[M]+ 363.20401 186.7
[M]- 363.20511 186.7
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.