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

10
Patents

231.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.108046 151.6
[M+Na]+ 254.089988 158.7
[M-H]- 230.093494 153.3
[M+NH4]+ 249.134593 166.6
[M+K]+ 270.063928 154.6
[M+H-H2O]+ 214.098030 143.8
[M+HCOO]- 276.098971 170.9
[M+CH3COO]- 290.114621 188.0
[M+Na-2H]- 252.075436 153.0
[M]+ 231.10022142 148.1
[M]- 231.10131858 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