CID 68356

548-61-8

Structural Information

Molecular Formula
C19H19N3
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C19H19N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,20-22H2
InChIKey
ADUMIBSPEHFSLA-UHFFFAOYSA-N
Compound name
4-[bis(4-aminophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2220
Patents

289.1579 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 168.9
[M+Na]+ 312.14712 174.8
[M-H]- 288.15062 177.4
[M+NH4]+ 307.19172 182.5
[M+K]+ 328.12106 168.6
[M+H-H2O]+ 272.15516 159.9
[M+HCOO]- 334.15610 193.1
[M+CH3COO]- 348.17175 179.5
[M+Na-2H]- 310.13257 171.8
[M]+ 289.15735 162.9
[M]- 289.15845 162.9
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