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 148.0
[M+Na]+ 239.09032 157.9
[M+NH4]+ 234.13492 154.2
[M+K]+ 255.06426 155.2
[M-H]- 215.09382 149.9
[M+Na-2H]- 237.07577 153.9
[M]+ 216.10055 149.4
[M]- 216.10165 149.4
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