CID 6016

Thiazinamium

Structural Information

Molecular Formula
C18H23N2S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C
InChI
InChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1
InChIKey
CDXCCYNINPIWGE-UHFFFAOYSA-N
Compound name
trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

16
References

715
Patents

299.1582 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.16548 166.2
[M+Na]+ 322.14742 172.7
[M-H]- 298.15092 171.1
[M+NH4]+ 317.19202 183.1
[M+K]+ 338.12136 162.7
[M+H-H2O]+ 282.15546 161.2
[M+HCOO]- 344.15640 179.0
[M+CH3COO]- 358.17205 204.3
[M+Na-2H]- 320.13287 174.1
[M]+ 299.15765 167.1
[M]- 299.15875 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe