CID 53982

77967-09-0

Structural Information

Molecular Formula
C19H25N2S
SMILES
CC[N+](C)(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H25N2S/c1-4-21(3,5-2)15-14-20-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)20/h6-13H,4-5,14-15H2,1-3H3/q+1
InChIKey
FOENSYJRMMQMNE-UHFFFAOYSA-N
Compound name
diethyl-methyl-(2-phenothiazin-10-ylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

313.17386 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18114 171.2
[M+Na]+ 336.16308 177.6
[M-H]- 312.16658 175.8
[M+NH4]+ 331.20768 187.7
[M+K]+ 352.13702 166.9
[M+H-H2O]+ 296.17112 165.8
[M+HCOO]- 358.17206 184.7
[M+CH3COO]- 372.18771 206.6
[M+Na-2H]- 334.14853 179.6
[M]+ 313.17331 173.0
[M]- 313.17441 173.0
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.