CID 3080089

Benzamide, 3-(1h-imidazol-4-ylmethyl)-2-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C12H13N3O2
SMILES
COC1=C(C=CC=C1C(=O)N)CC2=CN=CN2
InChI
InChI=1S/C12H13N3O2/c1-17-11-8(5-9-6-14-7-15-9)3-2-4-10(11)12(13)16/h2-4,6-7H,5H2,1H3,(H2,13,16)(H,14,15)
InChIKey
WVXAMSQCLHWLHN-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-5-ylmethyl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

231.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.8
[M+Na]+ 254.08999 158.6
[M-H]- 230.09349 153.7
[M+NH4]+ 249.13459 166.5
[M+K]+ 270.06393 154.8
[M+H-H2O]+ 214.09803 142.6
[M+HCOO]- 276.09897 172.6
[M+CH3COO]- 290.11462 189.5
[M+Na-2H]- 252.07544 153.9
[M]+ 231.10022 149.8
[M]- 231.10132 149.8
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