CID 33182

2,4-bis(p-aminobenzyl)aniline

Structural Information

Molecular Formula
C20H21N3
SMILES
C1=CC(=CC=C1CC2=CC(=C(C=C2)N)CC3=CC=C(C=C3)N)N
InChI
InChI=1S/C20H21N3/c21-18-6-1-14(2-7-18)11-16-5-10-20(23)17(13-16)12-15-3-8-19(22)9-4-15/h1-10,13H,11-12,21-23H2
InChIKey
KKVLCJIOPNYOQN-UHFFFAOYSA-N
Compound name
2,4-bis[(4-aminophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1124
Patents

303.17355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18083 176.4
[M+Na]+ 326.16277 190.8
[M+NH4]+ 321.20737 185.2
[M+K]+ 342.13671 181.7
[M-H]- 302.16627 185.6
[M+Na-2H]- 324.14822 187.1
[M]+ 303.17300 181.1
[M]- 303.17410 181.1
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