CID 135854442

104775-20-4

Structural Information

Molecular Formula
C21H21Cl2NO3
SMILES
CCOC(=O)[C@@H]1C[C@@H]1CN=C(C2=CC=C(C=C2)Cl)C3=C(C(=CC(=C3)Cl)C)O
InChI
InChI=1S/C21H21Cl2NO3/c1-3-27-21(26)17-9-14(17)11-24-19(13-4-6-15(22)7-5-13)18-10-16(23)8-12(2)20(18)25/h4-8,10,14,17,25H,3,9,11H2,1-2H3/t14-,17-/m1/s1
InChIKey
MRYRKVJOVQMZMU-RHSMWYFYSA-N
Compound name
ethyl (1R,2S)-2-[[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]methyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.08984 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09712 189.1
[M+Na]+ 428.07906 204.9
[M+NH4]+ 423.12366 197.1
[M+K]+ 444.05300 198.0
[M-H]- 404.08256 200.7
[M+Na-2H]- 426.06451 198.8
[M]+ 405.08929 196.4
[M]- 405.09039 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.