CID 3684002

2-iodo-n-isopropyl-n-phenylbenzamide

Structural Information

Molecular Formula
C16H16INO
SMILES
CC(C)N(C1=CC=CC=C1)C(=O)C2=CC=CC=C2I
InChI
InChI=1S/C16H16INO/c1-12(2)18(13-8-4-3-5-9-13)16(19)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKey
VQMJAHVRFXZBKE-UHFFFAOYSA-N
Compound name
2-iodo-N-phenyl-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.02765 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03493 174.4
[M+Na]+ 388.01687 179.8
[M+NH4]+ 383.06147 178.6
[M+K]+ 403.99081 175.7
[M-H]- 364.02037 173.2
[M+Na-2H]- 386.00232 170.2
[M]+ 365.02710 173.8
[M]- 365.02820 173.8
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.