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 173.6
[M+Na]+ 355.10062 180.6
[M-H]- 331.10412 177.9
[M+NH4]+ 350.14522 190.1
[M+K]+ 371.07456 174.7
[M+H-H2O]+ 315.10866 166.2
[M+HCOO]- 377.10960 182.9
[M+CH3COO]- 391.12525 183.8
[M+Na-2H]- 353.08607 177.0
[M]+ 332.11085 178.5
[M]- 332.11195 178.5
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.