CID 135624071

104775-08-8

Structural Information

Molecular Formula
C20H21Cl2NO3
SMILES
CC1=CC(=CC(=C1O)C(=NCC(C)CC(=O)OC)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C20H21Cl2NO3/c1-12(8-18(24)26-3)11-23-19(14-4-6-15(21)7-5-14)17-10-16(22)9-13(2)20(17)25/h4-7,9-10,12,25H,8,11H2,1-3H3
InChIKey
RHKGTDCCLFJFTR-UHFFFAOYSA-N
Compound name
methyl 4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.08984 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.09712 189.2
[M+Na]+ 416.07906 197.0
[M-H]- 392.08256 195.5
[M+NH4]+ 411.12366 202.1
[M+K]+ 432.05300 191.0
[M+H-H2O]+ 376.08710 183.0
[M+HCOO]- 438.08804 201.3
[M+CH3COO]- 452.10369 223.0
[M+Na-2H]- 414.06451 187.2
[M]+ 393.08929 196.1
[M]- 393.09039 196.1
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.