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]+ 315.079776 168.2
[M+Na]+ 337.061718 175.9
[M-H]- 313.065224 172.9
[M+NH4]+ 332.106323 181.9
[M+K]+ 353.035658 169.9
[M+H-H2O]+ 297.069760 160.1
[M+HCOO]- 359.070701 182.9
[M+CH3COO]- 373.086351 178.5
[M+Na-2H]- 335.047166 171.6
[M]+ 314.07195142 168.6
[M]- 314.07304858 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.