CID 6510062

Brn 5606886

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
CN1/C(=N\C(=O)NC2=CC=C(C=C2)OC)/CSC3=CC=CC=C31
InChI
InChI=1S/C17H17N3O2S/c1-20-14-5-3-4-6-15(14)23-11-16(20)19-17(21)18-12-7-9-13(22-2)10-8-12/h3-10H,11H2,1-2H3,(H,18,21)/b19-16-
InChIKey
OIAFCHOBYHAFPA-MNDPQUGUSA-N
Compound name
(3Z)-1-(4-methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10416 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11144 173.3
[M+Na]+ 350.09338 185.9
[M+NH4]+ 345.13798 181.6
[M+K]+ 366.06732 176.4
[M-H]- 326.09688 178.8
[M+Na-2H]- 348.07883 181.0
[M]+ 327.10361 177.0
[M]- 327.10471 177.0
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.