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 183.7
[M+Na]+ 386.19378 189.4
[M-H]- 362.19728 189.0
[M+NH4]+ 381.23838 201.2
[M+K]+ 402.16772 187.4
[M+H-H2O]+ 346.20182 178.6
[M+HCOO]- 408.20276 202.8
[M+CH3COO]- 422.21841 216.9
[M+Na-2H]- 384.17923 182.8
[M]+ 363.20401 187.2
[M]- 363.20511 187.2
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.