CID 44285992

13094-24-1

Structural Information

Molecular Formula
C17H19ClN2S
SMILES
CN(C)CCCN1C2=C(C(=CC=C2)Cl)SC3=CC=CC=C31
InChI
InChI=1S/C17H19ClN2S/c1-19(2)11-6-12-20-14-8-3-4-10-16(14)21-17-13(18)7-5-9-15(17)20/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
QTSPTUFOFSQPBD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

318.09573 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10301 169.7
[M+Na]+ 341.08495 178.3
[M-H]- 317.08845 174.5
[M+NH4]+ 336.12955 187.1
[M+K]+ 357.05889 172.2
[M+H-H2O]+ 301.09299 162.5
[M+HCOO]- 363.09393 180.3
[M+CH3COO]- 377.10958 180.7
[M+Na-2H]- 339.07040 173.8
[M]+ 318.09518 175.1
[M]- 318.09628 175.1
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