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]+ 335.08488 172.3
[M+Na]+ 357.06682 179.7
[M-H]- 333.07032 178.9
[M+NH4]+ 352.11142 186.5
[M+K]+ 373.04076 173.8
[M+H-H2O]+ 317.07486 163.4
[M+HCOO]- 379.07580 187.5
[M+CH3COO]- 393.09145 182.6
[M+Na-2H]- 355.05227 179.4
[M]+ 334.07705 173.4
[M]- 334.07815 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.