CID 3080079

Benzamide, 6-hydroxy-3-(1h-imidazol-4-ylmethyl)-2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=C(C=CC(=C1C(=O)N)O)CC2=CN=CN2
InChI
InChI=1S/C12H13N3O2/c1-7-8(4-9-5-14-6-15-9)2-3-10(16)11(7)12(13)17/h2-3,5-6,16H,4H2,1H3,(H2,13,17)(H,14,15)
InChIKey
ZXEKSWQEBROHOR-UHFFFAOYSA-N
Compound name
6-hydroxy-3-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 152.3
[M+Na]+ 254.08999 163.3
[M+NH4]+ 249.13459 158.3
[M+K]+ 270.06393 160.6
[M-H]- 230.09349 153.5
[M+Na-2H]- 252.07544 157.6
[M]+ 231.10022 153.8
[M]- 231.10132 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