CID 6481717

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

Structural Information

Molecular Formula
C19H14N2O2S
SMILES
C1C(=NC2=C(S1)C3=CC=CC=C3C=C2)NC(=O)OC4=CC=CC=C4
InChI
InChI=1S/C19H14N2O2S/c22-19(23-14-7-2-1-3-8-14)21-17-12-24-18-15-9-5-4-6-13(15)10-11-16(18)20-17/h1-11H,12H2,(H,20,21,22)
InChIKey
QTJVZYTWHLAWPL-UHFFFAOYSA-N
Compound name
phenyl N-(2H-benzo[h][1,4]benzothiazin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0776 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.084876 172.3
[M+Na]+ 357.066818 179.7
[M-H]- 333.070324 178.9
[M+NH4]+ 352.111423 186.5
[M+K]+ 373.040758 173.8
[M+H-H2O]+ 317.074860 163.4
[M+HCOO]- 379.075801 187.5
[M+CH3COO]- 393.091451 182.6
[M+Na-2H]- 355.052266 179.4
[M]+ 334.07705142 173.4
[M]- 334.07814858 173.4
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.