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]+ 260.08522 154.0
[M+Na]+ 282.06716 163.8
[M-H]- 258.07066 157.5
[M+NH4]+ 277.11176 170.5
[M+K]+ 298.04110 157.2
[M+H-H2O]+ 242.07520 146.2
[M+HCOO]- 304.07614 168.9
[M+CH3COO]- 318.09179 165.3
[M+Na-2H]- 280.05261 161.2
[M]+ 259.07739 152.0
[M]- 259.07849 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.