CID 3062620

1h-imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
COC[C@H]1CO[C@@](O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O4/c1-22-7-13-8-23-17(25-13,9-21-3-2-20-10-21)15-5-11-4-12(18)6-14(19)16(11)24-15/h2-6,10,13H,7-9H2,1H3/t13-,17+/m0/s1
InChIKey
YNWTXWKEWMYHHW-SUMWQHHRSA-N
Compound name
1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0487 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.055976 184.9
[M+Na]+ 405.037918 196.6
[M-H]- 381.041424 195.3
[M+NH4]+ 400.082523 199.6
[M+K]+ 421.011858 194.4
[M+H-H2O]+ 365.045960 179.0
[M+HCOO]- 427.046901 195.3
[M+CH3COO]- 441.062551 196.9
[M+Na-2H]- 403.023366 184.8
[M]+ 382.04815142 195.3
[M]- 382.04924858 195.3
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.