CID 69045

4,4'-benzylidenedianiline

Structural Information

Molecular Formula
C19H18N2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H18N2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H,20-21H2
InChIKey
XECVXFWNYNXCBN-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-phenylmethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1075
Patents

274.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15428 164.9
[M+Na]+ 297.13622 170.7
[M-H]- 273.13972 173.6
[M+NH4]+ 292.18082 179.4
[M+K]+ 313.11016 164.6
[M+H-H2O]+ 257.14426 156.0
[M+HCOO]- 319.14520 188.7
[M+CH3COO]- 333.16085 175.9
[M+Na-2H]- 295.12167 169.1
[M]+ 274.14645 160.0
[M]- 274.14755 160.0
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