CID 17032

Diphenylthioacetic acid s-2-(dipropylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C22H29NOS
SMILES
CCCN(CCC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H29NOS/c1-3-15-23(16-4-2)17-18-25-22(24)21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKey
WEXRVFDKZKSKQS-UHFFFAOYSA-N
Compound name
S-[2-(dipropylamino)ethyl] 2,2-diphenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

355.197 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20428 189.6
[M+Na]+ 378.18622 191.9
[M-H]- 354.18972 195.9
[M+NH4]+ 373.23082 202.7
[M+K]+ 394.16016 187.4
[M+H-H2O]+ 338.19426 180.3
[M+HCOO]- 400.19520 205.9
[M+CH3COO]- 414.21085 219.9
[M+Na-2H]- 376.17167 188.1
[M]+ 355.19645 193.6
[M]- 355.19755 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe