CID 103989

4-[(4-aminophenyl)methyl]-2-ethylaniline

Structural Information

Molecular Formula
C15H18N2
SMILES
CCC1=C(C=CC(=C1)CC2=CC=C(C=C2)N)N
InChI
InChI=1S/C15H18N2/c1-2-13-10-12(5-8-15(13)17)9-11-3-6-14(16)7-4-11/h3-8,10H,2,9,16-17H2,1H3
InChIKey
HWVIWIDTBYWXGB-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)methyl]-2-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

226.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 153.0
[M+Na]+ 249.13622 160.4
[M-H]- 225.13972 159.1
[M+NH4]+ 244.18082 170.5
[M+K]+ 265.11016 155.5
[M+H-H2O]+ 209.14426 145.6
[M+HCOO]- 271.14520 177.8
[M+CH3COO]- 285.16085 197.1
[M+Na-2H]- 247.12167 157.0
[M]+ 226.14645 150.2
[M]- 226.14755 150.2
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