CID 3009995

(2r,3s)-3-(5-ethoxy-1h-benzimidazol-2-yl)-2,3-dihydroxy-propanoic acid

Structural Information

Molecular Formula
C12H14N2O5
SMILES
CCOC1=CC2=C(C=C1)N=C(N2)[C@@H]([C@H](C(=O)O)O)O
InChI
InChI=1S/C12H14N2O5/c1-2-19-6-3-4-7-8(5-6)14-11(13-7)9(15)10(16)12(17)18/h3-5,9-10,15-16H,2H2,1H3,(H,13,14)(H,17,18)/t9-,10-/m1/s1
InChIKey
PJLMSCIYSKBCRR-NXEZZACHSA-N
Compound name
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 157.1
[M+Na]+ 289.07949 164.3
[M-H]- 265.08299 154.4
[M+NH4]+ 284.12409 170.8
[M+K]+ 305.05343 161.3
[M+H-H2O]+ 249.08753 150.6
[M+HCOO]- 311.08847 172.2
[M+CH3COO]- 325.10412 188.0
[M+Na-2H]- 287.06494 158.8
[M]+ 266.08972 158.1
[M]- 266.09082 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.