CID 2966

Debrisoquine

Structural Information

Molecular Formula
C10H13N3
SMILES
C1CN(CC2=CC=CC=C21)C(=N)N
InChI
InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
InChIKey
JWPGJSVJDAJRLW-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isoquinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1045
References

3421
Patents

175.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 136.7
[M+Na]+ 198.10017 142.5
[M-H]- 174.10367 139.0
[M+NH4]+ 193.14477 155.7
[M+K]+ 214.07411 139.3
[M+H-H2O]+ 158.10821 129.8
[M+HCOO]- 220.10915 157.4
[M+CH3COO]- 234.12480 184.6
[M+Na-2H]- 196.08562 143.7
[M]+ 175.11040 130.0
[M]- 175.11150 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.