CID 135795650

N,2-dihydroxy-3-(1h-imidazol-4-ylmethyl)benzenecarboximidamide

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC(=C(C(=C1)/C(=N\O)/N)O)CC2=CN=CN2
InChI
InChI=1S/C11H12N4O2/c12-11(15-17)9-3-1-2-7(10(9)16)4-8-5-13-6-14-8/h1-3,5-6,16-17H,4H2,(H2,12,15)(H,13,14)
InChIKey
BPILOYNUAHSMNM-UHFFFAOYSA-N
Compound name
N',2-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 149.8
[M+Na]+ 255.08524 156.7
[M-H]- 231.08874 151.5
[M+NH4]+ 250.12984 164.4
[M+K]+ 271.05918 152.3
[M+H-H2O]+ 215.09328 141.5
[M+HCOO]- 277.09422 171.4
[M+CH3COO]- 291.10987 188.7
[M+Na-2H]- 253.07069 153.5
[M]+ 232.09547 145.7
[M]- 232.09657 145.7
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.