CID 383973

Nsc672976

Structural Information

Molecular Formula
C16H14N2O3S
SMILES
COC1=CC(=C2C(=C1)SC(C(=O)N2)C3=CC=CC=C3)NC=O
InChI
InChI=1S/C16H14N2O3S/c1-21-11-7-12(17-9-19)14-13(8-11)22-15(16(20)18-14)10-5-3-2-4-6-10/h2-9,15H,1H3,(H,17,19)(H,18,20)
InChIKey
IVRVPRQFLFVJCD-UHFFFAOYSA-N
Compound name
N-(7-methoxy-3-oxo-2-phenyl-4H-1,4-benzothiazin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07978 168.2
[M+Na]+ 337.06172 175.9
[M-H]- 313.06522 172.9
[M+NH4]+ 332.10632 181.9
[M+K]+ 353.03566 169.9
[M+H-H2O]+ 297.06976 160.1
[M+HCOO]- 359.07070 182.9
[M+CH3COO]- 373.08635 178.5
[M+Na-2H]- 335.04717 171.6
[M]+ 314.07195 168.6
[M]- 314.07305 168.6
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.