CID 107669

4-hydroxydebrisoquine

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1C(C2=CC=CC=C2CN1C(=N)N)O
InChI
InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
InChIKey
AKFURXZANOMQBD-UHFFFAOYSA-N
Compound name
4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

86
References

52
Patents

191.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.7
[M+Na]+ 214.09509 151.0
[M+NH4]+ 209.13969 148.7
[M+K]+ 230.06903 145.8
[M-H]- 190.09859 143.0
[M+Na-2H]- 212.08054 145.4
[M]+ 191.10532 142.4
[M]- 191.10642 142.4
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

patents stripe