CID 3074849

(+)-2-hydroxy-3-(1-(1h-imidazol-4-yl)ethyl)benzenecarboximidamide hydrate

Structural Information

Molecular Formula
C12H14N4O
SMILES
CC(C1=C(C(=CC=C1)C(=N)N)O)C2=CN=CN2
InChI
InChI=1S/C12H14N4O/c1-7(10-5-15-6-16-10)8-3-2-4-9(11(8)17)12(13)14/h2-7,17H,1H3,(H3,13,14)(H,15,16)
InChIKey
JRLFZXVJJMRPLD-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.5
[M+Na]+ 253.10598 161.9
[M+NH4]+ 248.15058 158.4
[M+K]+ 269.07992 159.8
[M-H]- 229.10948 154.2
[M+Na-2H]- 251.09143 157.9
[M]+ 230.11621 153.8
[M]- 230.11731 153.8
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