CID 6481716

Methyl (ne)-n-(4h-benzo[h][1,4]benzothiazin-3-ylidene)carbamate

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
COC(=O)NC1=NC2=C(C3=CC=CC=C3C=C2)SC1
InChI
InChI=1S/C14H12N2O2S/c1-18-14(17)16-12-8-19-13-10-5-3-2-4-9(10)6-7-11(13)15-12/h2-7H,8H2,1H3,(H,15,16,17)
InChIKey
VJGUBCNVDFGNMO-UHFFFAOYSA-N
Compound name
methyl N-(2H-benzo[h][1,4]benzothiazin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.06195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06923 155.9
[M+Na]+ 295.05117 164.2
[M-H]- 271.05467 159.9
[M+NH4]+ 290.09577 173.4
[M+K]+ 311.02511 159.9
[M+H-H2O]+ 255.05921 148.7
[M+HCOO]- 317.06015 171.4
[M+CH3COO]- 331.07580 167.6
[M+Na-2H]- 293.03662 162.8
[M]+ 272.06140 158.1
[M]- 272.06250 158.1
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.