CID 3080075

127170-82-5

Structural Information

Molecular Formula
C11H11N3O3
SMILES
C1=CC(=C(C(=C1CC2=CN=CN2)O)C(=O)N)O
InChI
InChI=1S/C11H11N3O3/c12-11(17)9-8(15)2-1-6(10(9)16)3-7-4-13-5-14-7/h1-2,4-5,15-16H,3H2,(H2,12,17)(H,13,14)
InChIKey
RDHFMLMZRQKWGW-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.08005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 150.2
[M+Na]+ 256.06927 158.2
[M-H]- 232.07277 150.9
[M+NH4]+ 251.11387 164.5
[M+K]+ 272.04321 153.6
[M+H-H2O]+ 216.07731 142.7
[M+HCOO]- 278.07825 169.4
[M+CH3COO]- 292.09390 185.3
[M+Na-2H]- 254.05472 152.1
[M]+ 233.07950 146.9
[M]- 233.08060 146.9
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