CID 3064145

Phenothiazine-10-ethylamine, 2-chloro-n-(2-chloroethyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C17H18Cl2N2S
SMILES
CN(CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CCCl
InChI
InChI=1S/C17H18Cl2N2S/c1-20(9-8-18)10-11-21-14-4-2-3-5-16(14)22-17-7-6-13(19)12-15(17)21/h2-7,12H,8-11H2,1H3
InChIKey
QMDFTYTVALEKNF-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(2-chlorophenothiazin-10-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.05676 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06404 174.9
[M+Na]+ 375.04598 183.8
[M-H]- 351.04948 179.0
[M+NH4]+ 370.09058 191.3
[M+K]+ 391.01992 176.8
[M+H-H2O]+ 335.05402 168.5
[M+HCOO]- 397.05496 180.5
[M+CH3COO]- 411.07061 185.1
[M+Na-2H]- 373.03143 178.3
[M]+ 352.05621 181.5
[M]- 352.05731 181.5
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.