CID 271257

N1,n3-dihydroxyisophthalimidamide

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C1=CC(=CC(=C1)C(=NO)N)C(=NO)N
InChI
InChI=1S/C8H10N4O2/c9-7(11-13)5-2-1-3-6(4-5)8(10)12-14/h1-4,13-14H,(H2,9,11)(H2,10,12)
InChIKey
JVXOIYJLJWAUQP-UHFFFAOYSA-N
Compound name
1-N',3-N'-dihydroxybenzene-1,3-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 139.8
[M+Na]+ 217.06959 145.2
[M-H]- 193.07309 142.8
[M+NH4]+ 212.11419 157.2
[M+K]+ 233.04353 143.8
[M+H-H2O]+ 177.07763 132.6
[M+HCOO]- 239.07857 166.3
[M+CH3COO]- 253.09422 191.6
[M+Na-2H]- 215.05504 144.3
[M]+ 194.07982 134.6
[M]- 194.08092 134.6
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.