CID 11971396

Brn 0699031

Structural Information

Molecular Formula
C22H28N2OS
SMILES
C1CN(CCC1CCO)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H28N2OS/c25-17-12-18-10-15-23(16-11-18)13-5-14-24-19-6-1-3-8-21(19)26-22-9-4-2-7-20(22)24/h1-4,6-9,18,25H,5,10-17H2
InChIKey
XFIIVNKGEDJIOR-UHFFFAOYSA-N
Compound name
2-[1-(3-phenothiazin-10-ylpropyl)piperidin-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.19223 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 187.7
[M+Na]+ 391.18145 201.5
[M+NH4]+ 386.22605 197.1
[M+K]+ 407.15539 189.5
[M-H]- 367.18495 192.8
[M+Na-2H]- 389.16690 193.7
[M]+ 368.19168 191.7
[M]- 368.19278 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

No literature data available for this compound.

Patent stripe

patents stripe