CID 3020721

2-[(4-aminophenyl)methyl]-6-ethylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 153.0
[M+Na]+ 249.136218 160.4
[M-H]- 225.139724 159.1
[M+NH4]+ 244.180823 170.5
[M+K]+ 265.110158 155.5
[M+H-H2O]+ 209.144260 145.6
[M+HCOO]- 271.145201 177.8
[M+CH3COO]- 285.160851 197.1
[M+Na-2H]- 247.121666 157.0
[M]+ 226.14645142 150.2
[M]- 226.14754858 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

No patent data available for this compound.