CID 16728307

(2s,3r)-n-[(2,6-dichlorophenyl)methoxy]-3-imidazol-1-yl-2-methyl-chroman-4-imine

Structural Information

Molecular Formula
C20H17Cl2N3O2
SMILES
C[C@H]1[C@@H](/C(=N\OCC2=C(C=CC=C2Cl)Cl)/C3=CC=CC=C3O1)N4C=CN=C4
InChI
InChI=1S/C20H17Cl2N3O2/c1-13-20(25-10-9-23-12-25)19(14-5-2-3-8-18(14)27-13)24-26-11-15-16(21)6-4-7-17(15)22/h2-10,12-13,20H,11H2,1H3/b24-19-/t13-,20-/m0/s1
InChIKey
ZCHXJNRZEMCIBJ-VHAQIDCJSA-N
Compound name
(Z,2S,3R)-N-[(2,6-dichlorophenyl)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

401.0698 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.07708 196.0
[M+Na]+ 424.05902 205.8
[M-H]- 400.06252 204.8
[M+NH4]+ 419.10362 207.3
[M+K]+ 440.03296 199.4
[M+H-H2O]+ 384.06706 185.5
[M+HCOO]- 446.06800 206.5
[M+CH3COO]- 460.08365 205.8
[M+Na-2H]- 422.04447 197.1
[M]+ 401.06925 201.2
[M]- 401.07035 201.2
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.