CID 84363

3,7-dihydroxychlorpromazine

Structural Information

Molecular Formula
C17H19ClN2O2S
SMILES
CN(C)CCCN1C2=CC(=C(C=C2SC3=C1C=C(C=C3)O)O)Cl
InChI
InChI=1S/C17H19ClN2O2S/c1-19(2)6-3-7-20-13-8-11(21)4-5-16(13)23-17-10-15(22)12(18)9-14(17)20/h4-5,8-10,21-22H,3,6-7H2,1-2H3
InChIKey
BECGZYKNPMWKFC-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

350.08557 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09285 178.0
[M+Na]+ 373.07479 192.1
[M+NH4]+ 368.11939 187.1
[M+K]+ 389.04873 182.1
[M-H]- 349.07829 181.5
[M+Na-2H]- 371.06024 182.8
[M]+ 350.08502 181.9
[M]- 350.08612 181.9
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