CID 3048003

N 711

Structural Information

Molecular Formula
C21H26N2S
SMILES
CN1CCN(CC1)CCCC2C3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C21H26N2S/c1-22-13-15-23(16-14-22)12-6-9-17-18-7-2-4-10-20(18)24-21-11-5-3-8-19(17)21/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3
InChIKey
CSOREJCKBIZWKF-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-(9H-thioxanthen-9-yl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.18167 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18895 180.1
[M+Na]+ 361.17089 195.2
[M+NH4]+ 356.21549 190.6
[M+K]+ 377.14483 182.6
[M-H]- 337.17439 186.2
[M+Na-2H]- 359.15634 187.3
[M]+ 338.18112 184.7
[M]- 338.18222 184.7
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.