CID 203695

10-(3-(4-phenylpiperidino)propyl)phenothiazine hydrogen succinate monohydrate

Structural Information

Molecular Formula
C26H28N2S
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C26H28N2S/c1-2-9-21(10-3-1)22-15-19-27(20-16-22)17-8-18-28-23-11-4-6-13-25(23)29-26-14-7-5-12-24(26)28/h1-7,9-14,22H,8,15-20H2
InChIKey
UYZGAVOZWJBLAR-UHFFFAOYSA-N
Compound name
10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.19733 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.20461 195.0
[M+Na]+ 423.18655 199.5
[M-H]- 399.19005 201.1
[M+NH4]+ 418.23115 204.8
[M+K]+ 439.16049 190.7
[M+H-H2O]+ 383.19459 183.0
[M+HCOO]- 445.19553 202.9
[M+CH3COO]- 459.21118 201.8
[M+Na-2H]- 421.17200 196.8
[M]+ 400.19678 191.3
[M]- 400.19788 191.3
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

No patent data available for this compound.