CID 23507200

4-{[benzyl(propyl)amino]methyl}aniline

Structural Information

Molecular Formula
C17H22N2
SMILES
CCCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C17H22N2/c1-2-12-19(13-15-6-4-3-5-7-15)14-16-8-10-17(18)11-9-16/h3-11H,2,12-14,18H2,1H3
InChIKey
KUVPIBUYOKRJFX-UHFFFAOYSA-N
Compound name
4-[[benzyl(propyl)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

254.1783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 163.1
[M+Na]+ 277.16752 176.2
[M+NH4]+ 272.21212 172.3
[M+K]+ 293.14146 167.3
[M-H]- 253.17102 169.8
[M+Na-2H]- 275.15297 172.9
[M]+ 254.17775 166.9
[M]- 254.17885 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