CID 60489

111327-40-3

Structural Information

Molecular Formula
C20H25N2OS
SMILES
CC[N+](C)(CC)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C20H25N2OS/c1-4-22(3,5-2)15-14-20(23)21-16-10-6-8-12-18(16)24-19-13-9-7-11-17(19)21/h6-13H,4-5,14-15H2,1-3H3/q+1
InChIKey
SBQPYMPAEJOGJR-UHFFFAOYSA-N
Compound name
diethyl-methyl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17604 178.8
[M+Na]+ 364.15798 184.5
[M-H]- 340.16148 183.3
[M+NH4]+ 359.20258 193.9
[M+K]+ 380.13192 174.0
[M+H-H2O]+ 324.16602 173.3
[M+HCOO]- 386.16696 191.3
[M+CH3COO]- 400.18261 210.6
[M+Na-2H]- 362.14343 185.9
[M]+ 341.16821 180.9
[M]- 341.16931 180.9
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.