CID 377558

Nsc659125

Structural Information

Molecular Formula
C15H15NOS
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O
InChI
InChI=1S/C15H15NOS/c1-11(17)10-16-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)16/h2-9,11,17H,10H2,1H3
InChIKey
OOARYLWNROHOKX-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

257.08743 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09471 154.1
[M+Na]+ 280.07665 162.1
[M-H]- 256.08015 156.6
[M+NH4]+ 275.12125 171.8
[M+K]+ 296.05059 156.8
[M+H-H2O]+ 240.08469 147.5
[M+HCOO]- 302.08563 166.4
[M+CH3COO]- 316.10128 165.3
[M+Na-2H]- 278.06210 159.3
[M]+ 257.08688 155.0
[M]- 257.08798 155.0
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.