CID 57465

98964-14-8

Structural Information

Molecular Formula
C19H23N2OS
SMILES
CC[N+](C)(CC)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H23N2OS/c1-4-21(3,5-2)14-19(22)20-15-10-6-8-12-17(15)23-18-13-9-7-11-16(18)20/h6-13H,4-5,14H2,1-3H3/q+1
InChIKey
PBKKHBVUENMOFY-UHFFFAOYSA-N
Compound name
diethyl-methyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1531 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16038 174.2
[M+Na]+ 350.14232 180.4
[M-H]- 326.14582 178.9
[M+NH4]+ 345.18692 189.9
[M+K]+ 366.11626 170.2
[M+H-H2O]+ 310.15036 168.9
[M+HCOO]- 372.15130 187.1
[M+CH3COO]- 386.16695 207.6
[M+Na-2H]- 348.12777 181.9
[M]+ 327.15255 176.0
[M]- 327.15365 176.0
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.