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 186.2
[M+Na]+ 391.18145 190.4
[M-H]- 367.18495 188.3
[M+NH4]+ 386.22605 197.3
[M+K]+ 407.15539 182.9
[M+H-H2O]+ 351.18949 176.2
[M+HCOO]- 413.19043 192.8
[M+CH3COO]- 427.20608 193.1
[M+Na-2H]- 389.16690 187.6
[M]+ 368.19168 183.7
[M]- 368.19278 183.7
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