CID 2887335

Methyl 4-((2,2,2-trichloro-1-((3,4-dimethoxybenzoyl)amino)ethyl)amino)benzoate

Structural Information

Molecular Formula
C19H19Cl3N2O5
SMILES
COC1=C(C=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)C(=O)OC)OC
InChI
InChI=1S/C19H19Cl3N2O5/c1-27-14-9-6-12(10-15(14)28-2)16(25)24-18(19(20,21)22)23-13-7-4-11(5-8-13)17(26)29-3/h4-10,18,23H,1-3H3,(H,24,25)
InChIKey
GQWDCMHFOJNYSY-UHFFFAOYSA-N
Compound name
methyl 4-[[2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.03595 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.04323 197.8
[M+Na]+ 483.02517 204.2
[M-H]- 459.02867 203.3
[M+NH4]+ 478.06977 207.6
[M+K]+ 498.99911 200.1
[M+H-H2O]+ 443.03321 192.3
[M+HCOO]- 505.03415 205.0
[M+CH3COO]- 519.04980 231.9
[M+Na-2H]- 481.01062 198.1
[M]+ 460.03540 206.1
[M]- 460.03650 206.1
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.