CID 16728310

(2s,3r)-n-[(3-fluorophenyl)methoxy]-3-imidazol-1-yl-2-methyl-chroman-4-imine

Structural Information

Molecular Formula
C20H18FN3O2
SMILES
C[C@H]1[C@@H](/C(=N\OCC2=CC(=CC=C2)F)/C3=CC=CC=C3O1)N4C=CN=C4
InChI
InChI=1S/C20H18FN3O2/c1-14-20(24-10-9-22-13-24)19(17-7-2-3-8-18(17)26-14)23-25-12-15-5-4-6-16(21)11-15/h2-11,13-14,20H,12H2,1H3/b23-19-/t14-,20-/m0/s1
InChIKey
IUNZUEJEWZYWLE-PCNADQRCSA-N
Compound name
(Z,2S,3R)-N-[(3-fluorophenyl)methoxy]-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.1383 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14558 182.8
[M+Na]+ 374.12752 190.9
[M-H]- 350.13102 191.3
[M+NH4]+ 369.17212 194.5
[M+K]+ 390.10146 186.2
[M+H-H2O]+ 334.13556 170.9
[M+HCOO]- 396.13650 202.4
[M+CH3COO]- 410.15215 193.2
[M+Na-2H]- 372.11297 185.8
[M]+ 351.13775 183.2
[M]- 351.13885 183.2
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.