CID 3074845

2-hydroxy-3-(1h-imidazol-4-ylmethyl)benzenecarboximidamide

Structural Information

Molecular Formula
C11H12N4O
SMILES
C1=CC(=C(C(=C1)C(=N)N)O)CC2=CN=CN2
InChI
InChI=1S/C11H12N4O/c12-11(13)9-3-1-2-7(10(9)16)4-8-5-14-6-15-8/h1-3,5-6,16H,4H2,(H3,12,13)(H,14,15)
InChIKey
ALUGCBJTYNHNOL-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.1011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 146.9
[M+Na]+ 239.09032 154.0
[M-H]- 215.09382 148.6
[M+NH4]+ 234.13492 162.3
[M+K]+ 255.06426 149.0
[M+H-H2O]+ 199.09836 138.9
[M+HCOO]- 261.09930 168.4
[M+CH3COO]- 275.11495 187.2
[M+Na-2H]- 237.07577 150.6
[M]+ 216.10055 141.6
[M]- 216.10165 141.6
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

patents stripe