CID 3065504

108176-67-6

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3SC2
InChI
InChI=1S/C16H15N3O2S/c1-21-12-8-6-11(7-9-12)17-16(20)19-15-10-22-14-5-3-2-4-13(14)18-15/h2-9H,10H2,1H3,(H2,17,18,19,20)
InChIKey
AMOPVPKHEQWRFL-UHFFFAOYSA-N
Compound name
1-(2H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0885 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.095776 167.5
[M+Na]+ 336.077718 174.0
[M-H]- 312.081224 173.4
[M+NH4]+ 331.122323 181.5
[M+K]+ 352.051658 169.1
[M+H-H2O]+ 296.085760 158.9
[M+HCOO]- 358.086701 184.9
[M+CH3COO]- 372.102351 178.0
[M+Na-2H]- 334.063166 173.4
[M]+ 313.08795142 168.2
[M]- 313.08904858 168.2
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.