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]+ 255.18558 161.0
[M+Na]+ 277.16752 164.7
[M-H]- 253.17102 168.0
[M+NH4]+ 272.21212 177.4
[M+K]+ 293.14146 161.3
[M+H-H2O]+ 237.17556 152.1
[M+HCOO]- 299.17650 186.9
[M+CH3COO]- 313.19215 204.3
[M+Na-2H]- 275.15297 167.5
[M]+ 254.17775 160.9
[M]- 254.17885 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.