CID 214266

27972-34-5

Structural Information

Molecular Formula
C27H29ClN2OS
SMILES
COC1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C27H29ClN2OS/c1-31-27(21-8-3-2-4-9-21)14-18-29(19-15-27)16-7-17-30-23-10-5-6-11-25(23)32-26-13-12-22(28)20-24(26)30/h2-6,8-13,20H,7,14-19H2,1H3
InChIKey
NWMVRSQEGDYWII-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1689 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.17618 210.9
[M+Na]+ 487.15812 228.4
[M+NH4]+ 482.20272 222.5
[M+K]+ 503.13206 212.2
[M-H]- 463.16162 219.1
[M+Na-2H]- 485.14357 221.3
[M]+ 464.16835 217.1
[M]- 464.16945 217.1
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.