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

270
Patents

472.23755 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.244826 212.7
[M+Na]+ 495.226768 215.6
[M-H]- 471.230274 228.0
[M+NH4]+ 490.271373 217.6
[M+K]+ 511.200708 209.7
[M+H-H2O]+ 455.234810 199.4
[M+HCOO]- 517.235751 238.8
[M+CH3COO]- 531.251401 219.8
[M+Na-2H]- 493.212216 214.8
[M]+ 472.23700142 206.5
[M]- 472.23809858 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

literature stripe

Patent stripe

patents stripe