CID 202850

N-oh-nor1-cpz

Structural Information

Molecular Formula
C16H17ClN2OS
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCNCO
InChI
InChI=1S/C16H17ClN2OS/c17-12-6-7-16-14(10-12)19(9-3-8-18-11-20)13-4-1-2-5-15(13)21-16/h1-2,4-7,10,18,20H,3,8-9,11H2
InChIKey
UXYUBLRYQVDGKL-UHFFFAOYSA-N
Compound name
[3-(2-chlorophenothiazin-10-yl)propylamino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.075 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08228 169.4
[M+Na]+ 343.06422 183.9
[M+NH4]+ 338.10882 179.3
[M+K]+ 359.03816 172.4
[M-H]- 319.06772 173.5
[M+Na-2H]- 341.04967 175.6
[M]+ 320.07445 173.5
[M]- 320.07555 173.5
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

No patent data available for this compound.