CID 118753238

Chembl3527068

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CN(CC2=CC(=C(C=C21)O)O)C(=N)N
InChI
InChI=1S/C10H13N3O2/c11-10(12)13-2-1-6-3-8(14)9(15)4-7(6)5-13/h3-4,14-15H,1-2,5H2,(H3,11,12)
InChIKey
NQRACHFXQBOEIS-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

207.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 144.1
[M+Na]+ 230.08999 150.8
[M-H]- 206.09349 144.3
[M+NH4]+ 225.13459 160.8
[M+K]+ 246.06393 147.0
[M+H-H2O]+ 190.09803 137.8
[M+HCOO]- 252.09897 162.0
[M+CH3COO]- 266.11462 186.9
[M+Na-2H]- 228.07544 148.6
[M]+ 207.10022 137.4
[M]- 207.10132 137.4
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.