CID 1114043

Phenothiazine, 2-chloro-10-(piperidinoacetyl)-

Structural Information

Molecular Formula
C19H19ClN2OS
SMILES
C1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H19ClN2OS/c20-14-8-9-18-16(12-14)22(15-6-2-3-7-17(15)24-18)19(23)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKey
VBKSJLAPKJNYGO-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

358.09067 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09795 179.1
[M+Na]+ 381.07989 185.8
[M-H]- 357.08339 183.2
[M+NH4]+ 376.12449 192.2
[M+K]+ 397.05383 178.6
[M+H-H2O]+ 341.08793 170.3
[M+HCOO]- 403.08887 182.9
[M+CH3COO]- 417.10452 187.6
[M+Na-2H]- 379.06534 180.9
[M]+ 358.09012 178.5
[M]- 358.09122 178.5
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

No patent data available for this compound.