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
3
Annotation Hits

1
References

1202
Patents

303.17355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.180826 173.6
[M+Na]+ 326.162768 180.2
[M-H]- 302.166274 182.2
[M+NH4]+ 321.207373 186.9
[M+K]+ 342.136708 173.3
[M+H-H2O]+ 286.170810 164.3
[M+HCOO]- 348.171751 198.3
[M+CH3COO]- 362.187401 184.1
[M+Na-2H]- 324.148216 176.3
[M]+ 303.17300142 168.9
[M]- 303.17409858 168.9
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