CID 107410

7-hydroxynorchlorpromazine

Structural Information

Molecular Formula
C16H17ClN2OS
SMILES
CNCCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN2OS/c1-18-7-2-8-19-13-5-4-12(20)10-16(13)21-15-6-3-11(17)9-14(15)19/h3-6,9-10,18,20H,2,7-8H2,1H3
InChIKey
SQSNGPIVSCOKRR-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(methylamino)propyl]phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.075 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08228 167.6
[M+Na]+ 343.06422 176.9
[M-H]- 319.06772 170.2
[M+NH4]+ 338.10882 183.9
[M+K]+ 359.03816 169.5
[M+H-H2O]+ 303.07226 161.5
[M+HCOO]- 365.07320 176.9
[M+CH3COO]- 379.08885 178.1
[M+Na-2H]- 341.04967 172.3
[M]+ 320.07445 171.7
[M]- 320.07555 171.7
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