CID 278499

Nsc128172

Structural Information

Molecular Formula
C34H22N4O4
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)OC3=C(C4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)N=NC6=CC=CC=C6
InChI
InChI=1S/C34H22N4O4/c39-33(23-15-19-27(20-16-23)37-35-25-9-3-1-4-10-25)41-31-29-13-7-8-14-30(29)32(31)42-34(40)24-17-21-28(22-18-24)38-36-26-11-5-2-6-12-26/h1-22H
InChIKey
YEYLSKFBDUMBJI-UHFFFAOYSA-N
Compound name
[8-(4-phenyldiazenylbenzoyl)oxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] 4-phenyldiazenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.1641 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.17138 233.4
[M+Na]+ 573.15332 235.6
[M-H]- 549.15682 251.7
[M+NH4]+ 568.19792 231.5
[M+K]+ 589.12726 236.0
[M+H-H2O]+ 533.16136 210.6
[M+HCOO]- 595.16230 260.7
[M+CH3COO]- 609.17795 240.1
[M+Na-2H]- 571.13877 238.0
[M]+ 550.16355 245.7
[M]- 550.16465 245.7
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

No patent data available for this compound.