CID 16728303

(2s,3r)-n-benzyloxy-3-imidazol-1-yl-2-methyl-chroman-4-imine

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C[C@H]1[C@@H](/C(=N\OCC2=CC=CC=C2)/C3=CC=CC=C3O1)N4C=CN=C4
InChI
InChI=1S/C20H19N3O2/c1-15-20(23-12-11-21-14-23)19(17-9-5-6-10-18(17)25-15)22-24-13-16-7-3-2-4-8-16/h2-12,14-15,20H,13H2,1H3/b22-19-/t15-,20-/m0/s1
InChIKey
PNJQERKAHHQSSL-VSUPSXBPSA-N
Compound name
(Z,2S,3R)-3-imidazol-1-yl-2-methyl-N-phenylmethoxy-2,3-dihydrochromen-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 178.6
[M+Na]+ 356.13696 185.8
[M-H]- 332.14046 188.2
[M+NH4]+ 351.18156 190.9
[M+K]+ 372.11090 181.6
[M+H-H2O]+ 316.14500 167.6
[M+HCOO]- 378.14594 199.4
[M+CH3COO]- 392.16159 189.4
[M+Na-2H]- 354.12241 183.1
[M]+ 333.14719 179.6
[M]- 333.14829 179.6
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.