CID 54013

77985-02-5

Structural Information

Molecular Formula
C17H21N2S
SMILES
C[N+](C)(C)CCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C17H21N2S/c1-19(2,3)13-12-18-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)18/h4-11H,12-13H2,1-3H3/q+1
InChIKey
SFORZWADPHOEMU-UHFFFAOYSA-N
Compound name
trimethyl(2-phenothiazin-10-ylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

285.14255 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14983 162.0
[M+Na]+ 308.13177 169.4
[M-H]- 284.13527 167.1
[M+NH4]+ 303.17637 179.7
[M+K]+ 324.10571 159.1
[M+H-H2O]+ 268.13981 157.1
[M+HCOO]- 330.14075 176.3
[M+CH3COO]- 344.15640 200.6
[M+Na-2H]- 306.11722 171.4
[M]+ 285.14200 163.2
[M]- 285.14310 163.2
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

patents stripe