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]+ 287.12126 160.2
[M+Na]+ 309.10320 167.2
[M-H]- 285.10670 162.2
[M+NH4]+ 304.14780 176.4
[M+K]+ 325.07714 161.0
[M+H-H2O]+ 269.11124 152.9
[M+HCOO]- 331.11218 174.2
[M+CH3COO]- 345.12783 170.5
[M+Na-2H]- 307.08865 166.8
[M]+ 286.11343 161.4
[M]- 286.11453 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.