CID 3058257

74801-44-8

Structural Information

Molecular Formula
C20H23ClN2S
SMILES
CN1CCN(CC1)C2CCC3=C2C=CC=C3SC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2S/c1-22-11-13-23(14-12-22)19-10-9-18-17(19)3-2-4-20(18)24-16-7-5-15(21)6-8-16/h2-8,19H,9-14H2,1H3
InChIKey
RUDRYQAHKKTPFA-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)sulfanyl-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.12704 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13432 185.2
[M+Na]+ 381.11626 192.9
[M-H]- 357.11976 192.3
[M+NH4]+ 376.16086 199.6
[M+K]+ 397.09020 185.1
[M+H-H2O]+ 341.12430 176.4
[M+HCOO]- 403.12524 191.8
[M+CH3COO]- 417.14089 194.5
[M+Na-2H]- 379.10171 182.3
[M]+ 358.12649 184.8
[M]- 358.12759 184.8
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

patents stripe