CID 379210

Nsc663621

Structural Information

Molecular Formula
C17H17ClN2O2S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)OC(=O)NC
InChI
InChI=1S/C17H17ClN2O2S/c1-11(22-17(21)19-2)10-20-13-5-3-4-6-15(13)23-16-8-7-12(18)9-14(16)20/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKey
MYSHPSQZNPPJAC-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)propan-2-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.06992 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07720 174.8
[M+Na]+ 371.05914 182.7
[M-H]- 347.06264 178.4
[M+NH4]+ 366.10374 190.1
[M+K]+ 387.03308 177.1
[M+H-H2O]+ 331.06718 168.3
[M+HCOO]- 393.06812 183.6
[M+CH3COO]- 407.08377 184.9
[M+Na-2H]- 369.04459 178.1
[M]+ 348.06937 180.1
[M]- 348.07047 180.1
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.