CID 200676

2501-68-0

Structural Information

Molecular Formula
C16H20ClNOS
SMILES
CN(C)CCC(CC1=CC=CC=C1Cl)(C2=CC=CS2)O
InChI
InChI=1S/C16H20ClNOS/c1-18(2)10-9-16(19,15-8-5-11-20-15)12-13-6-3-4-7-14(13)17/h3-8,11,19H,9-10,12H2,1-2H3
InChIKey
ZGCHSZGJWGXQRL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-(dimethylamino)-2-thiophen-2-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10268 173.4
[M+Na]+ 332.08462 180.4
[M-H]- 308.08812 180.2
[M+NH4]+ 327.12922 191.3
[M+K]+ 348.05856 175.0
[M+H-H2O]+ 292.09266 167.4
[M+HCOO]- 354.09360 186.9
[M+CH3COO]- 368.10925 204.5
[M+Na-2H]- 330.07007 173.9
[M]+ 309.09485 178.5
[M]- 309.09595 178.5
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.