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

77
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 187.5
[M+Na]+ 378.18622 199.0
[M+NH4]+ 373.23082 195.8
[M+K]+ 394.16016 188.4
[M-H]- 354.18972 192.9
[M+Na-2H]- 376.17167 195.4
[M]+ 355.19645 191.2
[M]- 355.19755 191.2
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

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