CID 16414

7-hydroxychlorpromazine

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
InChIKey
HICFFJZGXWEIHN-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

68
Patents

334.09067 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09795 172.7
[M+Na]+ 357.07989 181.6
[M-H]- 333.08339 176.5
[M+NH4]+ 352.12449 189.0
[M+K]+ 373.05383 175.4
[M+H-H2O]+ 317.08793 166.1
[M+HCOO]- 379.08887 182.0
[M+CH3COO]- 393.10452 183.3
[M+Na-2H]- 355.06534 176.1
[M]+ 334.09012 178.3
[M]- 334.09122 178.3
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