CID 3043430

55470-08-1

Structural Information

Molecular Formula
C20H21Cl2NO4
SMILES
CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)OCC3COC(O3)(C)C)Cl
InChI
InChI=1S/C20H21Cl2NO4/c1-12-8-9-15(21)18(17(12)22)23-16-7-5-4-6-14(16)19(24)25-10-13-11-26-20(2,3)27-13/h4-9,13,23H,10-11H2,1-3H3
InChIKey
BMRIUTAFODCWEN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(2,6-dichloro-3-methylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.08478 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09206 196.1
[M+Na]+ 432.07400 205.0
[M-H]- 408.07750 206.9
[M+NH4]+ 427.11860 209.3
[M+K]+ 448.04794 201.4
[M+H-H2O]+ 392.08204 190.0
[M+HCOO]- 454.08298 207.1
[M+CH3COO]- 468.09863 222.5
[M+Na-2H]- 430.05945 196.0
[M]+ 409.08423 203.5
[M]- 409.08533 203.5
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.