CID 3261553

3-(4-iodoanilino)-1-(3-nitrophenyl)-1-propanone

Structural Information

Molecular Formula
C15H13IN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)I
InChI
InChI=1S/C15H13IN2O3/c16-12-4-6-13(7-5-12)17-9-8-15(19)11-2-1-3-14(10-11)18(20)21/h1-7,10,17H,8-9H2
InChIKey
RPQPLOOXBFGOSS-UHFFFAOYSA-N
Compound name
3-(4-iodoanilino)-1-(3-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.9971 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.00438 182.5
[M+Na]+ 418.98632 188.0
[M+NH4]+ 414.03092 185.4
[M+K]+ 434.96026 186.0
[M-H]- 394.98982 181.5
[M+Na-2H]- 416.97177 176.9
[M]+ 395.99655 181.8
[M]- 395.99765 181.8
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.