CID 3053113

Fc 118

Structural Information

Molecular Formula
C19H30N2O2S
SMILES
CN(CCN1CCCC1)C(=O)C(C2CCCCC2)(C3=CC=CS3)O
InChI
InChI=1S/C19H30N2O2S/c1-20(13-14-21-11-5-6-12-21)18(22)19(23,17-10-7-15-24-17)16-8-3-2-4-9-16/h7,10,15-16,23H,2-6,8-9,11-14H2,1H3
InChIKey
JNGSSFXGZCVKPS-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21008 187.2
[M+Na]+ 373.19202 187.3
[M-H]- 349.19552 193.8
[M+NH4]+ 368.23662 201.7
[M+K]+ 389.16596 185.0
[M+H-H2O]+ 333.20006 179.6
[M+HCOO]- 395.20100 197.7
[M+CH3COO]- 409.21665 210.3
[M+Na-2H]- 371.17747 182.2
[M]+ 350.20225 183.0
[M]- 350.20335 183.0
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.