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

6
Patents

216.1011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.108376 146.9
[M+Na]+ 239.090318 154.0
[M-H]- 215.093824 148.6
[M+NH4]+ 234.134923 162.3
[M+K]+ 255.064258 149.0
[M+H-H2O]+ 199.098360 138.9
[M+HCOO]- 261.099301 168.4
[M+CH3COO]- 275.114951 187.2
[M+Na-2H]- 237.075766 150.6
[M]+ 216.10055142 141.6
[M]- 216.10164858 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