CID 3080085

N,n-dimethyl-2-hydroxy-3-(1h-imidazol-4-ylmethyl)benzamide

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CN(C)C(=O)C1=CC=CC(=C1O)CC2=CN=CN2
InChI
InChI=1S/C13H15N3O2/c1-16(2)13(18)11-5-3-4-9(12(11)17)6-10-7-14-8-15-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,15)
InChIKey
ASILEQFPRKFMKK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 155.6
[M+Na]+ 268.10564 162.7
[M-H]- 244.10914 158.9
[M+NH4]+ 263.15024 171.0
[M+K]+ 284.07958 159.6
[M+H-H2O]+ 228.11368 147.3
[M+HCOO]- 290.11462 176.7
[M+CH3COO]- 304.13027 193.3
[M+Na-2H]- 266.09109 157.9
[M]+ 245.11587 155.2
[M]- 245.11697 155.2
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