CID 3064128

101976-27-6

Structural Information

Molecular Formula
C19H22Cl2N2S
SMILES
CCN(CCCl)C(C)CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H22Cl2N2S/c1-3-22(11-10-20)14(2)13-23-16-6-4-5-7-18(16)24-19-9-8-15(21)12-17(19)23/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKey
LTDVECDBEJWJSS-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.08807 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.09535 186.3
[M+Na]+ 403.07729 201.5
[M+NH4]+ 398.12189 196.7
[M+K]+ 419.05123 189.1
[M-H]- 379.08079 191.2
[M+Na-2H]- 401.06274 192.5
[M]+ 380.08752 191.2
[M]- 380.08862 191.2
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.