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 152.1
[M+Na]+ 253.10598 158.3
[M-H]- 229.10948 153.7
[M+NH4]+ 248.15058 166.7
[M+K]+ 269.07992 153.7
[M+H-H2O]+ 213.11402 144.0
[M+HCOO]- 275.11496 172.2
[M+CH3COO]- 289.13061 191.1
[M+Na-2H]- 251.09143 154.0
[M]+ 230.11621 146.5
[M]- 230.11731 146.5
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