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

26
Patents

254.1783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.7
[M+Na]+ 277.167518 166.4
[M-H]- 253.171024 168.6
[M+NH4]+ 272.212123 178.3
[M+K]+ 293.141458 162.7
[M+H-H2O]+ 237.175560 153.1
[M+HCOO]- 299.176501 187.0
[M+CH3COO]- 313.192151 204.7
[M+Na-2H]- 275.152966 166.4
[M]+ 254.17775142 161.1
[M]- 254.17884858 161.1
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