CID 104024

4-(4-aminobenzyl)-n-ethylaniline

Structural Information

Molecular Formula
C15H18N2
SMILES
CCNC1=CC=C(C=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C15H18N2/c1-2-17-15-9-5-13(6-10-15)11-12-3-7-14(16)8-4-12/h3-10,17H,2,11,16H2,1H3
InChIKey
DBQGVUZTTWCNDT-UHFFFAOYSA-N
Compound name
4-[[4-(ethylamino)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 152.1
[M+Na]+ 249.136218 158.5
[M-H]- 225.139724 158.3
[M+NH4]+ 244.180823 169.5
[M+K]+ 265.110158 153.9
[M+H-H2O]+ 209.144260 144.4
[M+HCOO]- 271.145201 177.6
[M+CH3COO]- 285.160851 196.5
[M+Na-2H]- 247.121666 157.9
[M]+ 226.14645142 149.9
[M]- 226.14754858 149.9
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