CID 474588

1-oxo-1-phenyl-3,4-dihydro-1.lamda.6-benzo[1,2,4]thiadiazin-3-ylamine

Structural Information

Molecular Formula
C13H13N3OS
SMILES
C1=CC=C(C=C1)S2(=NC(NC3=CC=CC=C32)N)=O
InChI
InChI=1S/C13H13N3OS/c14-13-15-11-8-4-5-9-12(11)18(17,16-13)10-6-2-1-3-7-10/h1-9,13,15H,14H2
InChIKey
ZQTOJDVDGOGXEB-UHFFFAOYSA-N
Compound name
2-oxo-2-phenyl-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.07794 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.085216 154.0
[M+Na]+ 282.067158 163.8
[M-H]- 258.070664 157.5
[M+NH4]+ 277.111763 170.5
[M+K]+ 298.041098 157.2
[M+H-H2O]+ 242.075200 146.2
[M+HCOO]- 304.076141 168.9
[M+CH3COO]- 318.091791 165.3
[M+Na-2H]- 280.052606 161.2
[M]+ 259.07739142 152.0
[M]- 259.07848858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.