CID 90597

Bayer 25660

Structural Information

Molecular Formula
C10H12N3O4PS
SMILES
COP(=S)(OC)OCN1C(=O)C2=CC=CC=C2N=N1
InChI
InChI=1S/C10H12N3O4PS/c1-15-18(19,16-2)17-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3
InChIKey
JEFGUNXGBMDINK-UHFFFAOYSA-N
Compound name
3-(dimethoxyphosphinothioyloxymethyl)-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.02863 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03591 163.1
[M+Na]+ 324.01785 175.2
[M+NH4]+ 319.06245 168.6
[M+K]+ 339.99179 168.8
[M-H]- 300.02135 161.9
[M+Na-2H]- 322.00330 167.5
[M]+ 301.02808 164.8
[M]- 301.02918 164.8
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.