CID 388436

Nsc683358

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CCCCC1C(=O)NC2=C(C=C(C=C2S1)OC)N
InChI
InChI=1S/C13H18N2O2S/c1-3-4-5-10-13(16)15-12-9(14)6-8(17-2)7-11(12)18-10/h6-7,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKey
XVDIWRHXIDRGSJ-UHFFFAOYSA-N
Compound name
5-amino-2-butyl-7-methoxy-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11618 158.6
[M+Na]+ 289.09812 166.2
[M-H]- 265.10162 159.7
[M+NH4]+ 284.14272 174.8
[M+K]+ 305.07206 161.1
[M+H-H2O]+ 249.10616 152.1
[M+HCOO]- 311.10710 171.7
[M+CH3COO]- 325.12275 197.7
[M+Na-2H]- 287.08357 159.7
[M]+ 266.10835 158.9
[M]- 266.10945 158.9
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.