CID 207049

Brn 2918386

Structural Information

Molecular Formula
C22H17Cl2NO4
SMILES
CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)OCOC(=O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C22H17Cl2NO4/c1-14-11-12-17(23)20(19(14)24)25-18-10-6-5-9-16(18)22(27)29-13-28-21(26)15-7-3-2-4-8-15/h2-12,25H,13H2,1H3
InChIKey
KPFDMTFAGBYTOJ-UHFFFAOYSA-N
Compound name
benzoyloxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.05347 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.06075 196.8
[M+Na]+ 452.04269 204.8
[M-H]- 428.04619 205.9
[M+NH4]+ 447.08729 207.4
[M+K]+ 468.01663 198.6
[M+H-H2O]+ 412.05073 188.4
[M+HCOO]- 474.05167 210.4
[M+CH3COO]- 488.06732 226.1
[M+Na-2H]- 450.02814 197.2
[M]+ 429.05292 203.9
[M]- 429.05402 203.9
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.