CID 487196

604-73-9

Structural Information

Molecular Formula
C17H19ClN2S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N(C)C
InChI
InChI=1S/C17H19ClN2S/c1-12(19(2)3)11-20-14-6-4-5-7-16(14)21-17-9-8-13(18)10-15(17)20/h4-10,12H,11H2,1-3H3
InChIKey
FIFOFBIUPODNAL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

318.09573 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10301 169.4
[M+Na]+ 341.08495 177.7
[M-H]- 317.08845 174.3
[M+NH4]+ 336.12955 186.8
[M+K]+ 357.05889 172.1
[M+H-H2O]+ 301.09299 162.5
[M+HCOO]- 363.09393 179.0
[M+CH3COO]- 377.10958 180.4
[M+Na-2H]- 339.07040 172.6
[M]+ 318.09518 174.4
[M]- 318.09628 174.4
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