CID 382395

Nsc669953

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
COC1=CC(=C2C(=C1)SC(C(=O)N2)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O4S/c1-21-10-7-11(17(19)20)13-12(8-10)22-14(15(18)16-13)9-5-3-2-4-6-9/h2-8,14H,1H3,(H,16,18)
InChIKey
BRMQXRYCANTWGO-UHFFFAOYSA-N
Compound name
7-methoxy-5-nitro-2-phenyl-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05908 166.4
[M+Na]+ 339.04102 172.8
[M-H]- 315.04452 171.2
[M+NH4]+ 334.08562 179.1
[M+K]+ 355.01496 163.5
[M+H-H2O]+ 299.04906 162.7
[M+HCOO]- 361.05000 180.9
[M+CH3COO]- 375.06565 196.6
[M+Na-2H]- 337.02647 171.5
[M]+ 316.05125 164.6
[M]- 316.05235 164.6
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.