CID 22898113

N-phenyl-4-[(1e,3e)-4-phenylbuta-1,3-dienyl]-n-[4-[4-(n-[4-[(1e,3e)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]aniline

Structural Information

Molecular Formula
C56H44N2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)/C=C/C=C/C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C56H44N2/c1-5-17-45(18-6-1)21-13-15-23-47-29-37-53(38-30-47)57(51-25-9-3-10-26-51)55-41-33-49(34-42-55)50-35-43-56(44-36-50)58(52-27-11-4-12-28-52)54-39-31-48(32-40-54)24-16-14-22-46-19-7-2-8-20-46/h1-44H/b21-13+,22-14+,23-15+,24-16+
InChIKey
GGZQOTXYMHIZCJ-YJJSJAINSA-N
Compound name
N-phenyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

297
Patents

744.35046 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.35774 289.2
[M+Na]+ 767.33968 286.1
[M-H]- 743.34318 307.1
[M+NH4]+ 762.38428 281.3
[M+K]+ 783.31362 273.8
[M+H-H2O]+ 727.34772 268.2
[M+HCOO]- 789.34866 305.0
[M+CH3COO]- 803.36431 288.1
[M+Na-2H]- 765.32513 284.3
[M]+ 744.34991 281.6
[M]- 744.35101 281.6
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