CID 16728308

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

Structural Information

Molecular Formula
C20H18BrN3O2
SMILES
C[C@H]1[C@@H](/C(=N\OCC2=CC=C(C=C2)Br)/C3=CC=CC=C3O1)N4C=CN=C4
InChI
InChI=1S/C20H18BrN3O2/c1-14-20(24-11-10-22-13-24)19(17-4-2-3-5-18(17)26-14)23-25-12-15-6-8-16(21)9-7-15/h2-11,13-14,20H,12H2,1H3/b23-19-/t14-,20-/m0/s1
InChIKey
ZOOYERPHSQEHBD-PCNADQRCSA-N
Compound name
(Z,2S,3R)-N-[(4-bromophenyl)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

411.05823 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.06551 191.2
[M+Na]+ 434.04745 201.4
[M-H]- 410.05095 203.0
[M+NH4]+ 429.09205 204.5
[M+K]+ 450.02139 190.3
[M+H-H2O]+ 394.05549 187.5
[M+HCOO]- 456.05643 209.5
[M+CH3COO]- 470.07208 203.1
[M+Na-2H]- 432.03290 195.4
[M]+ 411.05768 211.0
[M]- 411.05878 211.0
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.