CID 11268642

(2s,3r)-n-benzyloxy-7-chloro-3-imidazol-1-yl-2-methyl-chroman-4-imine

Structural Information

Molecular Formula
C20H18ClN3O2
SMILES
C[C@H]1[C@@H](/C(=N\OCC2=CC=CC=C2)/C3=C(O1)C=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H18ClN3O2/c1-14-20(24-10-9-22-13-24)19(17-8-7-16(21)11-18(17)26-14)23-25-12-15-5-3-2-4-6-15/h2-11,13-14,20H,12H2,1H3/b23-19-/t14-,20-/m0/s1
InChIKey
RLCNNGQPPXIUAX-PCNADQRCSA-N
Compound name
(Z,2S,3R)-7-chloro-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

367.10876 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11604 188.0
[M+Na]+ 390.09798 196.7
[M-H]- 366.10148 197.5
[M+NH4]+ 385.14258 200.0
[M+K]+ 406.07192 191.1
[M+H-H2O]+ 350.10602 177.2
[M+HCOO]- 412.10696 203.9
[M+CH3COO]- 426.12261 198.4
[M+Na-2H]- 388.08343 190.9
[M]+ 367.10821 191.6
[M]- 367.10931 191.6
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.