CID 77884

1,4-benzenediamine, n,n,n',n'-tetrakis(4-(dipropylamino)phenyl)-

Structural Information

Molecular Formula
C54H76N6
SMILES
CCCN(CCC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CCC)CCC)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(CCC)CCC)C5=CC=C(C=C5)N(CCC)CCC
InChI
InChI=1S/C54H76N6/c1-9-37-55(38-10-2)45-17-25-49(26-18-45)59(50-27-19-46(20-28-50)56(39-11-3)40-12-4)53-33-35-54(36-34-53)60(51-29-21-47(22-30-51)57(41-13-5)42-14-6)52-31-23-48(24-32-52)58(43-15-7)44-16-8/h17-36H,9-16,37-44H2,1-8H3
InChIKey
JDKLLQSILNEKTJ-UHFFFAOYSA-N
Compound name
4-N-[4-[4-(dipropylamino)-N-[4-(dipropylamino)phenyl]anilino]phenyl]-4-N-[4-(dipropylamino)phenyl]-1-N,1-N-dipropylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

808.61316 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 809.62044 320.3
[M+Na]+ 831.60238 330.9
[M+NH4]+ 826.64698 324.9
[M+K]+ 847.57632 317.1
[M-H]- 807.60588 335.5
[M+Na-2H]- 829.58783 330.6
[M]+ 808.61261 326.3
[M]- 808.61371 326.3
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

patents stripe