CID 377567

Nsc659132

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CN(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCO
InChI
InChI=1S/C17H20N2OS/c1-18(12-13-20)10-11-19-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)19/h2-9,20H,10-13H2,1H3
InChIKey
DHSXOMFXWAZKJH-UHFFFAOYSA-N
Compound name
2-[methyl(2-phenothiazin-10-ylethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12964 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 166.0
[M+Na]+ 323.11886 172.5
[M-H]- 299.12236 169.2
[M+NH4]+ 318.16346 182.2
[M+K]+ 339.09280 167.5
[M+H-H2O]+ 283.12690 158.1
[M+HCOO]- 345.12784 180.0
[M+CH3COO]- 359.14349 176.3
[M+Na-2H]- 321.10431 171.2
[M]+ 300.12909 168.6
[M]- 300.13019 168.6
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.