CID 3025653

6-(((5-chloro-2-hydroxyphenyl)(2-chlorophenyl)methylene)amino)-4-methylhexanoic acid

Structural Information

Molecular Formula
C20H21Cl2NO3
SMILES
CC(CCC(=O)O)CCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C20H21Cl2NO3/c1-13(6-9-19(25)26)10-11-23-20(15-4-2-3-5-17(15)22)16-12-14(21)7-8-18(16)24/h2-5,7-8,12-13,24H,6,9-11H2,1H3,(H,25,26)
InChIKey
QRYSOOGOUQXIPB-UHFFFAOYSA-N
Compound name
6-[[(5-chloro-2-hydroxyphenyl)-(2-chlorophenyl)methylidene]amino]-4-methylhexanoic acid
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 189.3
[M+Na]+ 416.07906 195.6
[M-H]- 392.08256 193.7
[M+NH4]+ 411.12366 201.1
[M+K]+ 432.05300 188.7
[M+H-H2O]+ 376.08710 183.1
[M+HCOO]- 438.08804 199.9
[M+CH3COO]- 452.10369 220.1
[M+Na-2H]- 414.06451 187.5
[M]+ 393.08929 194.0
[M]- 393.09039 194.0
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.