CID 76776

1,4-benzenediamine, n,n,n',n'-tetrakis(4-aminophenyl)-

Structural Information

Molecular Formula
C30H28N6
SMILES
C1=CC(=CC=C1N)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N
InChI
InChI=1S/C30H28N6/c31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28/h1-20H,31-34H2
InChIKey
LVPYYSKDNVAARK-UHFFFAOYSA-N
Compound name
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

472.23755 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.24483 212.7
[M+Na]+ 495.22677 215.6
[M-H]- 471.23027 228.0
[M+NH4]+ 490.27137 217.6
[M+K]+ 511.20071 209.7
[M+H-H2O]+ 455.23481 199.4
[M+HCOO]- 517.23575 238.8
[M+CH3COO]- 531.25140 219.8
[M+Na-2H]- 493.21222 214.8
[M]+ 472.23700 206.5
[M]- 472.23810 206.5
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

No patent data available for this compound.