CID 77273

Dichlorpromazine

Structural Information

Molecular Formula
C17H18Cl2N2S
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3Cl)Cl
InChI
InChI=1S/C17H18Cl2N2S/c1-20(2)8-5-9-21-14-6-3-4-7-16(14)22-17-13(19)10-12(18)11-15(17)21/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKey
BRABGWAAPWTHSE-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.05676 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06404 175.4
[M+Na]+ 375.04598 185.1
[M-H]- 351.04948 179.8
[M+NH4]+ 370.09058 192.1
[M+K]+ 391.01992 178.2
[M+H-H2O]+ 335.05402 169.2
[M+HCOO]- 397.05496 181.0
[M+CH3COO]- 411.07061 186.0
[M+Na-2H]- 373.03143 178.1
[M]+ 352.05621 182.4
[M]- 352.05731 182.4
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

patents stripe