CID 3018506

4-[(2-aminophenyl)methyl]-2,6-diethylaniline

Structural Information

Molecular Formula
C17H22N2
SMILES
CCC1=CC(=CC(=C1N)CC)CC2=CC=CC=C2N
InChI
InChI=1S/C17H22N2/c1-3-13-9-12(10-14(4-2)17(13)19)11-15-7-5-6-8-16(15)18/h5-10H,3-4,11,18-19H2,1-2H3
InChIKey
CBPLYPLUCJVOSE-UHFFFAOYSA-N
Compound name
4-[(2-aminophenyl)methyl]-2,6-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 162.4
[M+Na]+ 277.167518 169.9
[M-H]- 253.171024 168.6
[M+NH4]+ 272.212123 179.1
[M+K]+ 293.141458 164.5
[M+H-H2O]+ 237.175560 154.8
[M+HCOO]- 299.176501 186.5
[M+CH3COO]- 313.192151 204.3
[M+Na-2H]- 275.152966 164.5
[M]+ 254.17775142 160.8
[M]- 254.17884858 160.8
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