CID 135499593

Ro78307

Structural Information

Molecular Formula
C12H14N4O3S
SMILES
COC1=C/C(=N/S(=O)(=O)C2=CC=C(C=C2)N)/NC(=C)N1
InChI
InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7,15H,1,13H2,2H3,(H,14,16)
InChIKey
FFEWSASXRINPTI-UHFFFAOYSA-N
Compound name
(NZ)-4-amino-N-(6-methoxy-2-methylidene-1H-pyrimidin-4-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.07867 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08595 165.5
[M+Na]+ 317.06789 172.8
[M-H]- 293.07139 167.8
[M+NH4]+ 312.11249 176.9
[M+K]+ 333.04183 166.5
[M+H-H2O]+ 277.07593 157.5
[M+HCOO]- 339.07687 179.4
[M+CH3COO]- 353.09252 199.5
[M+Na-2H]- 315.05334 168.4
[M]+ 294.07812 161.9
[M]- 294.07922 161.9
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.