CID 3058257

Vufb-10650

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 183.4
[M+Na]+ 381.11626 198.9
[M+NH4]+ 376.16086 194.0
[M+K]+ 397.09020 188.2
[M-H]- 357.11976 190.4
[M+Na-2H]- 379.10171 191.3
[M]+ 358.12649 188.6
[M]- 358.12759 188.6
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