CID 2726

Chlorpromazine

Structural Information

Molecular Formula
C17H19ClN2S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

17989
References

74089
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.