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]+ 267.07978 155.9
[M+Na]+ 289.06172 163.9
[M-H]- 265.06522 157.6
[M+NH4]+ 284.10632 172.1
[M+K]+ 305.03566 159.4
[M+H-H2O]+ 249.06976 149.3
[M+HCOO]- 311.07070 170.3
[M+CH3COO]- 325.08635 196.6
[M+Na-2H]- 287.04717 158.6
[M]+ 266.07195 157.5
[M]- 266.07305 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.