CID 489851

Methyl 1-[(3s,5s)-5-(phenylcarbonyloxymethyl)oxolan-3-yl]imidazole-4-carboxylate

Structural Information

Molecular Formula
C17H18N2O5
SMILES
COC(=O)C1=CN(C=N1)[C@H]2C[C@H](OC2)COC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O5/c1-22-17(21)15-8-19(11-18-15)13-7-14(23-9-13)10-24-16(20)12-5-3-2-4-6-12/h2-6,8,11,13-14H,7,9-10H2,1H3/t13-,14-/m0/s1
InChIKey
SOHBSRHKNLWAGF-KBPBESRZSA-N
Compound name
methyl 1-[(3S,5S)-5-(benzoyloxymethyl)oxolan-3-yl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 174.4
[M+Na]+ 353.11080 179.9
[M-H]- 329.11430 182.3
[M+NH4]+ 348.15540 186.9
[M+K]+ 369.08474 179.3
[M+H-H2O]+ 313.11884 165.7
[M+HCOO]- 375.11978 193.6
[M+CH3COO]- 389.13543 204.5
[M+Na-2H]- 351.09625 173.0
[M]+ 330.12103 177.3
[M]- 330.12213 177.3
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.