CID 3059108

Brn 5097701

Structural Information

Molecular Formula
C17H16N2O3
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(CO)O
InChI
InChI=1S/C17H16N2O3/c20-11-13(21)10-19-15-9-5-4-8-14(15)18-17(19)16(22)12-6-2-1-3-7-12/h1-9,13,20-21H,10-11H2
InChIKey
UZTKCNNXSNTHNQ-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 167.5
[M+Na]+ 319.105318 175.3
[M-H]- 295.108824 170.4
[M+NH4]+ 314.149923 181.1
[M+K]+ 335.079258 170.2
[M+H-H2O]+ 279.113360 159.1
[M+HCOO]- 341.114301 185.9
[M+CH3COO]- 355.129951 198.1
[M+Na-2H]- 317.090766 170.8
[M]+ 296.11555142 169.0
[M]- 296.11664858 169.0
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

No patent data available for this compound.