CID 382394

Nsc669952

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CC1C(=O)NC2=C(C=C(C=C2S1)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4S/c1-5-10(13)11-9-7(12(14)15)3-6(16-2)4-8(9)17-5/h3-5H,1-2H3,(H,11,13)
InChIKey
UDNMGKQECYDBAY-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-5-nitro-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03613 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04341 149.2
[M+Na]+ 277.02535 156.7
[M-H]- 253.02885 151.3
[M+NH4]+ 272.06995 165.1
[M+K]+ 292.99929 149.0
[M+H-H2O]+ 237.03339 147.5
[M+HCOO]- 299.03433 163.9
[M+CH3COO]- 313.04998 185.4
[M+Na-2H]- 275.01080 154.2
[M]+ 254.03558 148.3
[M]- 254.03668 148.3
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.