CID 88306

19900-65-3

Structural Information

Molecular Formula
C17H22N2
SMILES
CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)CC)N
InChI
InChI=1S/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3
InChIKey
CBEVWPCAHIAUOD-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-ethylphenyl)methyl]-2-ethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6017
Patents

254.1783 Da
Monoisotopic Mass

4.1
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

literature stripe

Patent stripe

patents stripe