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

17984
References

73180
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