CID 80871

Einecs 229-133-4

Structural Information

Molecular Formula
C30H21N5
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC=C(C6=CC=CC=C65)N
InChI
InChI=1S/C30H21N5/c31-26-16-17-28(23-12-4-3-11-22(23)26)33-35-30-19-18-29(24-13-5-6-14-25(24)30)34-32-27-15-7-9-20-8-1-2-10-21(20)27/h1-19H,31H2
InChIKey
ZMDMAAJOOWVNAF-UHFFFAOYSA-N
Compound name
4-[[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

451.1797 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.18698 204.8
[M+Na]+ 474.16892 212.6
[M-H]- 450.17242 220.5
[M+NH4]+ 469.21352 216.1
[M+K]+ 490.14286 205.4
[M+H-H2O]+ 434.17696 190.5
[M+HCOO]- 496.17790 234.4
[M+CH3COO]- 510.19355 214.7
[M+Na-2H]- 472.15437 216.4
[M]+ 451.17915 206.6
[M]- 451.18025 206.6
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

No patent data available for this compound.