CID 112248

69163-06-0

Structural Information

Molecular Formula
C36H32N8
SMILES
CN(C)C1=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)N(C)C
InChI
InChI=1S/C36H32N8/c1-43(2)35-23-21-33(29-9-5-7-11-31(29)35)41-39-27-17-13-25(14-18-27)37-38-26-15-19-28(20-16-26)40-42-34-22-24-36(44(3)4)32-12-8-6-10-30(32)34/h5-24H,1-4H3
InChIKey
ZFPDHUVEYCDWHY-UHFFFAOYSA-N
Compound name
4-[[4-[[4-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N,N-dimethylnaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

576.27496 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.28224 241.9
[M+Na]+ 599.26418 246.1
[M-H]- 575.26768 263.4
[M+NH4]+ 594.30878 248.3
[M+K]+ 615.23812 242.9
[M+H-H2O]+ 559.27222 224.0
[M+HCOO]- 621.27316 277.0
[M+CH3COO]- 635.28881 250.0
[M+Na-2H]- 597.24963 251.1
[M]+ 576.27441 248.3
[M]- 576.27551 248.3
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