CID 3668770

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

Structural Information

Molecular Formula
C17H16Cl3IN2O
SMILES
CC1=CC(=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)I)C
InChI
InChI=1S/C17H16Cl3IN2O/c1-10-6-7-14(11(2)8-10)22-16(17(18,19)20)23-15(24)12-4-3-5-13(21)9-12/h3-9,16,22H,1-2H3,(H,23,24)
InChIKey
DWFNIMWRXJARJI-UHFFFAOYSA-N
Compound name
3-iodo-N-[2,2,2-trichloro-1-(2,4-dimethylanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.9373 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.94458 196.0
[M+Na]+ 518.92652 196.6
[M-H]- 494.93002 193.9
[M+NH4]+ 513.97112 204.2
[M+K]+ 534.90046 195.3
[M+H-H2O]+ 478.93456 186.9
[M+HCOO]- 540.93550 198.9
[M+CH3COO]- 554.95115 227.2
[M+Na-2H]- 516.91197 185.4
[M]+ 495.93675 196.3
[M]- 495.93785 196.3
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.