CID 6611263

Dechloro perphenazine

Structural Information

Molecular Formula
C21H27N3OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=CC=CC=C42)CCO
InChI
InChI=1S/C21H27N3OS/c25-17-16-23-14-12-22(13-15-23)10-5-11-24-18-6-1-3-8-20(18)26-21-9-4-2-7-19(21)24/h1-4,6-9,25H,5,10-17H2
InChIKey
RAUZVPIJXZDXLS-UHFFFAOYSA-N
Compound name
2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

369.18747 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19475 188.0
[M+Na]+ 392.17669 201.8
[M+NH4]+ 387.22129 196.7
[M+K]+ 408.15063 190.3
[M-H]- 368.18019 192.2
[M+Na-2H]- 390.16214 193.6
[M]+ 369.18692 191.7
[M]- 369.18802 191.7
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