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]+ 208.108046 144.1
[M+Na]+ 230.089988 150.8
[M-H]- 206.093494 144.3
[M+NH4]+ 225.134593 160.8
[M+K]+ 246.063928 147.0
[M+H-H2O]+ 190.098030 137.8
[M+HCOO]- 252.098971 162.0
[M+CH3COO]- 266.114621 186.9
[M+Na-2H]- 228.075436 148.6
[M]+ 207.10022142 137.4
[M]- 207.10131858 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.