CID 4747

Periciazine

Structural Information

Molecular Formula
C21H23N3OS
SMILES
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N
InChI
InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
InChIKey
LUALIOATIOESLM-UHFFFAOYSA-N
Compound name
10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

71
References

3937
Patents

365.1562 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16348 186.5
[M+Na]+ 388.14542 195.2
[M-H]- 364.14892 188.2
[M+NH4]+ 383.19002 196.7
[M+K]+ 404.11936 185.0
[M+H-H2O]+ 348.15346 171.3
[M+HCOO]- 410.15440 191.1
[M+CH3COO]- 424.17005 192.8
[M+Na-2H]- 386.13087 187.6
[M]+ 365.15565 179.3
[M]- 365.15675 179.3
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