CID 116039

4-methyl-n-(3-phenylpropyl)aniline

Structural Information

Molecular Formula
C16H19N
SMILES
CC1=CC=C(C=C1)NCCCC2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKey
HGBZCNSJZRBAFV-UHFFFAOYSA-N
Compound name
4-methyl-N-(3-phenylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.15175 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 154.2
[M+Na]+ 248.14097 169.0
[M+NH4]+ 243.18557 164.1
[M+K]+ 264.11491 159.2
[M-H]- 224.14447 160.7
[M+Na-2H]- 246.12642 165.0
[M]+ 225.15120 158.3
[M]- 225.15230 158.3
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

patents stripe