CID 9571041

Sulfaguanole

Structural Information

Molecular Formula
C12H15N5O3S
SMILES
CC1=C(OC(=N1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)N)/N)C
InChI
InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17)
InChIKey
IJZUQDQOAFUFJY-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfonyl-1-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1939
Patents

309.08957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.096846 170.0
[M+Na]+ 332.078788 177.9
[M-H]- 308.082294 177.6
[M+NH4]+ 327.123393 183.5
[M+K]+ 348.052728 175.2
[M+H-H2O]+ 292.086830 161.8
[M+HCOO]- 354.087771 191.1
[M+CH3COO]- 368.103421 211.8
[M+Na-2H]- 330.064236 173.1
[M]+ 309.08902142 171.3
[M]- 309.09011858 171.3
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.