CID 377569

Nsc659134

Structural Information

Molecular Formula
C16H16N2O2S
SMILES
CNC(=O)OCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H16N2O2S/c1-17-16(19)20-11-10-18-12-6-2-4-8-14(12)21-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey
XOFQVAXBLDDAKA-UHFFFAOYSA-N
Compound name
2-phenothiazin-10-ylethyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09326 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10054 164.6
[M+Na]+ 323.08248 171.8
[M-H]- 299.08598 168.0
[M+NH4]+ 318.12708 180.7
[M+K]+ 339.05642 167.1
[M+H-H2O]+ 283.09052 156.9
[M+HCOO]- 345.09146 179.3
[M+CH3COO]- 359.10711 175.3
[M+Na-2H]- 321.06793 170.5
[M]+ 300.09271 167.4
[M]- 300.09381 167.4
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.