CID 3021713

90680-32-3

Structural Information

Molecular Formula
C16H20N2
SMILES
CCC1=C(C(=CC(=C1)CC2=CC=C(C=C2)N)C)N
InChI
InChI=1S/C16H20N2/c1-3-14-10-13(8-11(2)16(14)18)9-12-4-6-15(17)7-5-12/h4-8,10H,3,9,17-18H2,1-2H3
InChIKey
XSVKKJLZPRFMCU-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)methyl]-2-ethyl-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

240.16264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 157.8
[M+Na]+ 263.151858 165.8
[M-H]- 239.155364 164.2
[M+NH4]+ 258.196463 175.1
[M+K]+ 279.125798 160.7
[M+H-H2O]+ 223.159900 150.4
[M+HCOO]- 285.160841 182.3
[M+CH3COO]- 299.176491 201.3
[M+Na-2H]- 261.137306 160.5
[M]+ 240.16209142 155.9
[M]- 240.16318858 155.9
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

patents stripe