CID 212761

Fc 105

Structural Information

Molecular Formula
C22H24N2O2S
SMILES
CN(C)CCN(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C22H24N2O2S/c1-23(2)15-16-24(19-12-7-4-8-13-19)21(25)22(26,20-14-9-17-27-20)18-10-5-3-6-11-18/h3-14,17,26H,15-16H2,1-2H3
InChIKey
KRLYMXGGLMQHQP-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-hydroxy-N,2-diphenyl-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15585 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16313 192.8
[M+Na]+ 403.14507 195.8
[M-H]- 379.14857 203.2
[M+NH4]+ 398.18967 205.9
[M+K]+ 419.11901 192.5
[M+H-H2O]+ 363.15311 183.9
[M+HCOO]- 425.15405 211.1
[M+CH3COO]- 439.16970 222.9
[M+Na-2H]- 401.13052 193.4
[M]+ 380.15530 195.4
[M]- 380.15640 195.4
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.