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
2
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 314.1
[M+Na]+ 831.60238 305.5
[M-H]- 807.60588 330.2
[M+NH4]+ 826.64698 307.6
[M+K]+ 847.57632 302.3
[M+H-H2O]+ 791.61042 294.2
[M+HCOO]- 853.61136 334.9
[M+CH3COO]- 867.62701 332.7
[M+Na-2H]- 829.58783 304.5
[M]+ 808.61261 321.8
[M]- 808.61371 321.8
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