CID 65750

Chlorproethazine

Structural Information

Molecular Formula
C19H23ClN2S
SMILES
CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChIKey
DBOUGBAQLIXZLV-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

811
Patents

346.12704 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13432 179.7
[M+Na]+ 369.11626 194.8
[M+NH4]+ 364.16086 190.3
[M+K]+ 385.09020 182.3
[M-H]- 345.11976 185.0
[M+Na-2H]- 367.10171 186.4
[M]+ 346.12649 184.4
[M]- 346.12759 184.4
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

patents stripe