CID 3064134

101976-33-4

Structural Information

Molecular Formula
C18H21ClN2S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)CCCl
InChI
InChI=1S/C18H21ClN2S/c1-14(20(2)12-11-19)13-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-10,14H,11-13H2,1-2H3
InChIKey
KPROVYBZAQQGTA-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methyl-1-phenothiazin-10-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1114 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11868 174.5
[M+Na]+ 355.10062 189.1
[M+NH4]+ 350.14522 185.2
[M+K]+ 371.07456 177.4
[M-H]- 331.10412 179.6
[M+Na-2H]- 353.08607 181.4
[M]+ 332.11085 179.0
[M]- 332.11195 179.0
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.