CID 72098

Fenoverine

Structural Information

Molecular Formula
C26H25N3O3S
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64
InChI
InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2
InChIKey
UBAJTZKNDCEGKL-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

712
Patents

459.16165 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16893 206.5
[M+Na]+ 482.15087 221.6
[M+NH4]+ 477.19547 214.9
[M+K]+ 498.12481 213.1
[M-H]- 458.15437 215.2
[M+Na-2H]- 480.13632 211.4
[M]+ 459.16110 211.8
[M]- 459.16220 211.8
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