CID 2808835

Maybridge4_000966

Structural Information

Molecular Formula
C12H14N4O3S
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)SCC(=O)NN)OC
InChI
InChI=1S/C12H14N4O3S/c1-18-9-3-7-8(4-10(9)19-2)14-6-15-12(7)20-5-11(17)16-13/h3-4,6H,5,13H2,1-2H3,(H,16,17)
InChIKey
USWDHYJLMPBNFL-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxyquinazolin-4-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

294.07867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.085946 162.7
[M+Na]+ 317.067888 171.0
[M-H]- 293.071394 164.4
[M+NH4]+ 312.112493 176.4
[M+K]+ 333.041828 167.3
[M+H-H2O]+ 277.075930 154.6
[M+HCOO]- 339.076871 179.5
[M+CH3COO]- 353.092521 205.4
[M+Na-2H]- 315.053336 167.1
[M]+ 294.07812142 167.3
[M]- 294.07921858 167.3
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.