CID 2916593

303059-14-5

Structural Information

Molecular Formula
C18H19Cl3N2O3
SMILES
CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C18H19Cl3N2O3/c1-11-4-7-13(8-5-11)22-17(18(19,20)21)23-16(24)12-6-9-14(25-2)15(10-12)26-3/h4-10,17,22H,1-3H3,(H,23,24)
InChIKey
XMMJWOWEXKRROE-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0461 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.05338 192.0
[M+Na]+ 439.03532 199.0
[M-H]- 415.03882 197.1
[M+NH4]+ 434.07992 203.6
[M+K]+ 455.00926 193.5
[M+H-H2O]+ 399.04336 186.4
[M+HCOO]- 461.04430 199.5
[M+CH3COO]- 475.05995 225.5
[M+Na-2H]- 437.02077 193.0
[M]+ 416.04555 198.2
[M]- 416.04665 198.2
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.