CID 3080071

127170-75-6

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC(C1=C(C(=CC=C1)C(=O)N)O)C2=CN=CN2
InChI
InChI=1S/C12H13N3O2/c1-7(10-5-14-6-15-10)8-3-2-4-9(11(8)16)12(13)17/h2-7,16H,1H3,(H2,13,17)(H,14,15)
InChIKey
UURRWPVQWVYPKQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 151.6
[M+Na]+ 254.08999 158.7
[M-H]- 230.09349 153.3
[M+NH4]+ 249.13459 166.6
[M+K]+ 270.06393 154.6
[M+H-H2O]+ 214.09803 143.8
[M+HCOO]- 276.09897 170.9
[M+CH3COO]- 290.11462 188.0
[M+Na-2H]- 252.07544 153.0
[M]+ 231.10022 148.1
[M]- 231.10132 148.1
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