CID 387272

Nsc680922

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
CCC1C(=O)NC2=C(C=C(C=C2S1)OC)NC=O
InChI
InChI=1S/C12H14N2O3S/c1-3-9-12(16)14-11-8(13-6-15)4-7(17-2)5-10(11)18-9/h4-6,9H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
ATFZCYAGHFOSNI-UHFFFAOYSA-N
Compound name
N-(2-ethyl-7-methoxy-3-oxo-4H-1,4-benzothiazin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0725 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.079776 155.9
[M+Na]+ 289.061718 163.9
[M-H]- 265.065224 157.6
[M+NH4]+ 284.106323 172.1
[M+K]+ 305.035658 159.4
[M+H-H2O]+ 249.069760 149.3
[M+HCOO]- 311.070701 170.3
[M+CH3COO]- 325.086351 196.6
[M+Na-2H]- 287.047166 158.6
[M]+ 266.07195142 157.5
[M]- 266.07304858 157.5
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.