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]+ 383.05598 184.9
[M+Na]+ 405.03792 196.6
[M-H]- 381.04142 195.3
[M+NH4]+ 400.08252 199.6
[M+K]+ 421.01186 194.4
[M+H-H2O]+ 365.04596 179.0
[M+HCOO]- 427.04690 195.3
[M+CH3COO]- 441.06255 196.9
[M+Na-2H]- 403.02337 184.8
[M]+ 382.04815 195.3
[M]- 382.04925 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.