CID 5440

Thiethylperazine

Structural Information

Molecular Formula
C22H29N3S2
SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
InChI
InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
InChIKey
XCTYLCDETUVOIP-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

231
References

10297
Patents

399.1803 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.187576 189.1
[M+Na]+ 422.169518 195.2
[M-H]- 398.173024 190.9
[M+NH4]+ 417.214123 199.1
[M+K]+ 438.143458 186.8
[M+H-H2O]+ 382.177560 179.6
[M+HCOO]- 444.178501 190.9
[M+CH3COO]- 458.194151 195.8
[M+Na-2H]- 420.154966 189.1
[M]+ 399.17975142 189.1
[M]- 399.18084858 189.1
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