CID 116649

2,2'-diethyldiphenylamine

Structural Information

Molecular Formula
C16H19N
SMILES
CCC1=CC=CC=C1NC2=CC=CC=C2CC
InChI
InChI=1S/C16H19N/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12,17H,3-4H2,1-2H3
InChIKey
RZFNPHWOOGJMQE-UHFFFAOYSA-N
Compound name
2-ethyl-N-(2-ethylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

225.15175 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.159026 152.3
[M+Na]+ 248.140968 159.2
[M-H]- 224.144474 159.0
[M+NH4]+ 243.185573 170.4
[M+K]+ 264.114908 154.7
[M+H-H2O]+ 208.149010 144.8
[M+HCOO]- 270.149951 177.1
[M+CH3COO]- 284.165601 195.2
[M+Na-2H]- 246.126416 158.3
[M]+ 225.15120142 152.2
[M]- 225.15229858 152.2
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