CID 4231634

3-iodo-n-(2,2,2-trichloro-1-(4-methoxyanilino)ethyl)benzamide

Structural Information

Molecular Formula
C16H14Cl3IN2O2
SMILES
COC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)I
InChI
InChI=1S/C16H14Cl3IN2O2/c1-24-13-7-5-12(6-8-13)21-15(16(17,18)19)22-14(23)10-3-2-4-11(20)9-10/h2-9,15,21H,1H3,(H,22,23)
InChIKey
RFICHUUIONSZKY-UHFFFAOYSA-N
Compound name
3-iodo-N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.91656 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.92384 195.3
[M+Na]+ 520.90578 195.3
[M-H]- 496.90928 193.1
[M+NH4]+ 515.95038 203.1
[M+K]+ 536.87972 194.7
[M+H-H2O]+ 480.91382 186.0
[M+HCOO]- 542.91476 198.7
[M+CH3COO]- 556.93041 225.3
[M+Na-2H]- 518.89123 185.9
[M]+ 497.91601 196.2
[M]- 497.91711 196.2
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.