CID 135854441

104775-19-1

Structural Information

Molecular Formula
C20H19Cl2NO3
SMILES
CC1=CC(=CC(=C1O)C(=NCC2(CC2)CC(=O)O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H19Cl2NO3/c1-12-8-15(22)9-16(19(12)26)18(13-2-4-14(21)5-3-13)23-11-20(6-7-20)10-17(24)25/h2-5,8-9,26H,6-7,10-11H2,1H3,(H,24,25)
InChIKey
WCKMRUUXPBCIGL-UHFFFAOYSA-N
Compound name
2-[1-[[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]methyl]cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0742 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08148 177.5
[M+Na]+ 414.06342 186.8
[M-H]- 390.06692 185.8
[M+NH4]+ 409.10802 186.9
[M+K]+ 430.03736 180.1
[M+H-H2O]+ 374.07146 172.5
[M+HCOO]- 436.07240 189.7
[M+CH3COO]- 450.08805 220.2
[M+Na-2H]- 412.04887 178.5
[M]+ 391.07365 184.5
[M]- 391.07475 184.5
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.