CID 204306

Phenothiazine, 2-chloro-10-(3-(4-phenylpiperidino)propyl)-, succinate, hydrate (1:1:1)

Structural Information

Molecular Formula
C26H27ClN2S
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C26H27ClN2S/c27-22-11-12-26-24(19-22)29(23-9-4-5-10-25(23)30-26)16-6-15-28-17-13-21(14-18-28)20-7-2-1-3-8-20/h1-5,7-12,19,21H,6,13-18H2
InChIKey
CIXBVIVOSQXJGR-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(4-phenylpiperidin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

434.15836 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16564 202.1
[M+Na]+ 457.14758 208.0
[M-H]- 433.15108 208.3
[M+NH4]+ 452.19218 211.7
[M+K]+ 473.12152 198.4
[M+H-H2O]+ 417.15562 190.6
[M+HCOO]- 479.15656 205.4
[M+CH3COO]- 493.17221 208.7
[M+Na-2H]- 455.13303 202.7
[M]+ 434.15781 201.2
[M]- 434.15891 201.2
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