CID 3080077

127170-83-6

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC(C1=C(C(=C(C=C1)O)C(=O)N)O)C2=CN=CN2
InChI
InChI=1S/C12H13N3O3/c1-6(8-4-14-5-15-8)7-2-3-9(16)10(11(7)17)12(13)18/h2-6,16-17H,1H3,(H2,13,18)(H,14,15)
InChIKey
CHFWPCAHZPVJMD-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

247.09569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 155.6
[M+Na]+ 270.08491 165.2
[M+NH4]+ 265.12951 160.5
[M+K]+ 286.05885 164.2
[M-H]- 246.08841 155.6
[M+Na-2H]- 268.07036 159.5
[M]+ 247.09514 156.4
[M]- 247.09624 156.4
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