CID 60861946

N-{2-[benzyl(ethyl)amino]ethyl}aniline

Structural Information

Molecular Formula
C17H22N2
SMILES
CCN(CCNC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N2/c1-2-19(15-16-9-5-3-6-10-16)14-13-18-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKey
KIMHIAYVHBXXMK-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-ethyl-N-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.0
[M+Na]+ 277.167518 164.7
[M-H]- 253.171024 168.0
[M+NH4]+ 272.212123 177.4
[M+K]+ 293.141458 161.3
[M+H-H2O]+ 237.175560 152.1
[M+HCOO]- 299.176501 186.9
[M+CH3COO]- 313.192151 204.3
[M+Na-2H]- 275.152966 167.5
[M]+ 254.17775142 160.9
[M]- 254.17884858 160.9
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

No patent data available for this compound.