CID 5091356

141619-97-8

Structural Information

Molecular Formula
C15H17IN2
SMILES
CN(C)C1=CC=C(C=C1)CNC2=CC=C(C=C2)I
InChI
InChI=1S/C15H17IN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-10,17H,11H2,1-2H3
InChIKey
DSQSKOIJGIMWLU-UHFFFAOYSA-N
Compound name
4-[(4-iodoanilino)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

352.04364 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05092 171.9
[M+Na]+ 375.03286 177.7
[M+NH4]+ 370.07746 176.8
[M+K]+ 391.00680 172.5
[M-H]- 351.03636 172.1
[M+Na-2H]- 373.01831 168.6
[M]+ 352.04309 171.8
[M]- 352.04419 171.8
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

patents stripe