CID 377570

Nsc659135

Structural Information

Molecular Formula
C17H18N2O2S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)NC
InChI
InChI=1S/C17H18N2O2S/c1-12(21-17(20)18-2)11-19-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)19/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKey
BRPSHGIHFRMHTI-UHFFFAOYSA-N
Compound name
1-phenothiazin-10-ylpropan-2-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1089 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11618 169.4
[M+Na]+ 337.09812 175.7
[M-H]- 313.10162 172.7
[M+NH4]+ 332.14272 184.8
[M+K]+ 353.07206 171.4
[M+H-H2O]+ 297.10616 161.7
[M+HCOO]- 359.10710 182.7
[M+CH3COO]- 373.12275 179.4
[M+Na-2H]- 335.08357 173.7
[M]+ 314.10835 172.0
[M]- 314.10945 172.0
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.