CID 202849

10h-phenothiazine-10-propanamine, n-hydroxy-n-methyl-

Structural Information

Molecular Formula
C16H18N2OS
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCNCO
InChI
InChI=1S/C16H18N2OS/c19-12-17-10-5-11-18-13-6-1-3-8-15(13)20-16-9-4-2-7-14(16)18/h1-4,6-9,17,19H,5,10-12H2
InChIKey
PLOXMOHRBAULMX-UHFFFAOYSA-N
Compound name
(3-phenothiazin-10-ylpropylamino)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11398 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.121256 160.2
[M+Na]+ 309.103198 167.2
[M-H]- 285.106704 162.2
[M+NH4]+ 304.147803 176.4
[M+K]+ 325.077138 161.0
[M+H-H2O]+ 269.111240 152.9
[M+HCOO]- 331.112181 174.2
[M+CH3COO]- 345.127831 170.5
[M+Na-2H]- 307.088646 166.8
[M]+ 286.11343142 161.4
[M]- 286.11452858 161.4
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.