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 169.8
[M+Na]+ 375.03286 168.7
[M-H]- 351.03636 170.1
[M+NH4]+ 370.07746 182.1
[M+K]+ 391.00680 171.4
[M+H-H2O]+ 335.04090 157.7
[M+HCOO]- 397.04184 190.4
[M+CH3COO]- 411.05749 210.5
[M+Na-2H]- 373.01831 162.8
[M]+ 352.04309 166.9
[M]- 352.04419 166.9
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