CID 77848

4182-80-3

Structural Information

Molecular Formula
C62H92N6
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CCCC)CCCC)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(CCCC)CCCC)C5=CC=C(C=C5)N(CCCC)CCCC
InChI
InChI=1S/C62H92N6/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8/h25-44H,9-24,45-52H2,1-8H3
InChIKey
GVNSFLFOZIYBPH-UHFFFAOYSA-N
Compound name
1-N,1-N-dibutyl-4-N-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

227
Patents

920.73834 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 921.74562 351.5
[M+Na]+ 943.72756 360.3
[M+NH4]+ 938.77216 354.6
[M+K]+ 959.70150 344.8
[M-H]- 919.73106 366.1
[M+Na-2H]- 941.71301 359.6
[M]+ 920.73779 357.0
[M]- 920.73889 357.0
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