CID 59514

102571-28-8

Structural Information

Molecular Formula
C18H23N2OS
SMILES
C[N+](C)(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCO
InChI
InChI=1S/C18H23N2OS/c1-20(2,13-14-21)12-11-19-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)19/h3-10,21H,11-14H2,1-2H3/q+1
InChIKey
JJMAOUUBZBFSGN-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1531 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16038 168.3
[M+Na]+ 338.14232 183.6
[M+NH4]+ 333.18692 179.2
[M+K]+ 354.11626 173.7
[M-H]- 314.14582 174.1
[M+Na-2H]- 336.12777 176.2
[M]+ 315.15255 173.2
[M]- 315.15365 173.2
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.