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 166.7
[M+Na]+ 343.06422 175.2
[M-H]- 319.06772 168.9
[M+NH4]+ 338.10882 182.7
[M+K]+ 359.03816 167.7
[M+H-H2O]+ 303.07226 160.4
[M+HCOO]- 365.07320 176.1
[M+CH3COO]- 379.08885 177.0
[M+Na-2H]- 341.04967 172.1
[M]+ 320.07445 170.4
[M]- 320.07555 170.4
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

No patent data available for this compound.