CID 112275

69293-82-9

Structural Information

Molecular Formula
C36H32N8
SMILES
CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)N=NC5=CC=C(C6=CC=CC=C65)NCC
InChI
InChI=1S/C36H32N8/c1-3-37-33-21-23-35(31-11-7-5-9-29(31)33)43-41-27-17-13-25(14-18-27)39-40-26-15-19-28(20-16-26)42-44-36-24-22-34(38-4-2)30-10-6-8-12-32(30)36/h5-24,37-38H,3-4H2,1-2H3
InChIKey
NWGOPWNYMXKSEL-UHFFFAOYSA-N
Compound name
N-ethyl-4-[[4-[[4-[[4-(ethylamino)naphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

576.27496 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.28224 248.5
[M+Na]+ 599.26418 264.9
[M+NH4]+ 594.30878 256.6
[M+K]+ 615.23812 250.1
[M-H]- 575.26768 265.1
[M+Na-2H]- 597.24963 263.2
[M]+ 576.27441 255.7
[M]- 576.27551 255.7
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