CID 135430664

Chembl1178090

Structural Information

Molecular Formula
C11H11N5O
SMILES
C1=CC=C2C(=C1)C=CN=C2/C=N/N=C(\N)/NO
InChI
InChI=1S/C11H11N5O/c12-11(16-17)15-14-7-10-9-4-2-1-3-8(9)5-6-13-10/h1-7,17H,(H3,12,15,16)/b14-7+
InChIKey
YQAKFHBZERDOAN-VGOFMYFVSA-N
Compound name
1-hydroxy-2-[(E)-isoquinolin-1-ylmethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10364 145.9
[M+Na]+ 252.08558 152.3
[M-H]- 228.08908 150.1
[M+NH4]+ 247.13018 162.7
[M+K]+ 268.05952 149.4
[M+H-H2O]+ 212.09362 137.5
[M+HCOO]- 274.09456 173.1
[M+CH3COO]- 288.11021 200.0
[M+Na-2H]- 250.07103 155.9
[M]+ 229.09581 143.5
[M]- 229.09691 143.5
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.