CID 3064132

Phenothiazine, 10-(2-(n-2-chloroethyl-n-methyl)aminoethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H19ClN2S
SMILES
CN(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCCl
InChI
InChI=1S/C17H19ClN2S/c1-19(11-10-18)12-13-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-9H,10-13H2,1H3
InChIKey
YIWVDACHNNPNOO-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methyl-2-phenothiazin-10-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09573 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10301 169.2
[M+Na]+ 341.08495 176.9
[M-H]- 317.08845 173.6
[M+NH4]+ 336.12955 186.3
[M+K]+ 357.05889 170.8
[M+H-H2O]+ 301.09299 161.8
[M+HCOO]- 363.09393 179.8
[M+CH3COO]- 377.10958 179.9
[M+Na-2H]- 339.07040 174.0
[M]+ 318.09518 174.2
[M]- 318.09628 174.2
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

No patent data available for this compound.