CID 421586

101976-42-5

Structural Information

Molecular Formula
C18H20Cl2N2S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N(C)CCCl
InChI
InChI=1S/C18H20Cl2N2S/c1-13(21(2)10-9-19)12-22-15-5-3-4-6-17(15)23-18-8-7-14(20)11-16(18)22/h3-8,11,13H,9-10,12H2,1-2H3
InChIKey
RGEHNLGHIZDCPD-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.07242 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07970 178.8
[M+Na]+ 389.06164 186.8
[M-H]- 365.06514 182.8
[M+NH4]+ 384.10624 194.6
[M+K]+ 405.03558 180.2
[M+H-H2O]+ 349.06968 172.4
[M+HCOO]- 411.07062 183.1
[M+CH3COO]- 425.08627 188.5
[M+Na-2H]- 387.04709 180.8
[M]+ 366.07187 185.3
[M]- 366.07297 185.3
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.