CID 3025654

Methyl 6-(((5-chloro-2-hydroxyphenyl)(2-chlorophenyl)methylene)amino)-4-methylhexanoate

Structural Information

Molecular Formula
C21H23Cl2NO3
SMILES
CC(CCC(=O)OC)CCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C21H23Cl2NO3/c1-14(7-10-20(26)27-2)11-12-24-21(16-5-3-4-6-18(16)23)17-13-15(22)8-9-19(17)25/h3-6,8-9,13-14,25H,7,10-12H2,1-2H3
InChIKey
ZFMDOKKBYUBIOY-UHFFFAOYSA-N
Compound name
methyl 6-[[(5-chloro-2-hydroxyphenyl)-(2-chlorophenyl)methylidene]amino]-4-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1055 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11278 194.4
[M+Na]+ 430.09472 200.7
[M-H]- 406.09822 200.0
[M+NH4]+ 425.13932 206.3
[M+K]+ 446.06866 194.4
[M+H-H2O]+ 390.10276 187.6
[M+HCOO]- 452.10370 206.1
[M+CH3COO]- 466.11935 224.6
[M+Na-2H]- 428.08017 192.4
[M]+ 407.10495 201.1
[M]- 407.10605 201.1
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.