CID 9571229

7599-28-2

Structural Information

Molecular Formula
C33H27N11O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)N/N=C/C3=NC(=CC=C3)/C=N/NC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5
InChI
InChI=1S/C33H27N11O2/c45-32(37-24-14-18-28(19-15-24)41-39-26-8-3-1-4-9-26)43-34-22-30-12-7-13-31(36-30)23-35-44-33(46)38-25-16-20-29(21-17-25)42-40-27-10-5-2-6-11-27/h1-23H,(H2,37,43,45)(H2,38,44,46)/b34-22+,35-23+,41-39?,42-40?
InChIKey
VWGURBURQKEZPX-PHHCTYCVSA-N
Compound name
1-(4-phenyldiazenylphenyl)-3-[(E)-[6-[(E)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]pyridin-2-yl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.2349 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.24218 231.2
[M+Na]+ 632.22412 230.7
[M-H]- 608.22762 250.3
[M+NH4]+ 627.26872 230.9
[M+K]+ 648.19806 227.7
[M+H-H2O]+ 592.23216 213.8
[M+HCOO]- 654.23310 267.3
[M+CH3COO]- 668.24875 290.5
[M+Na-2H]- 630.20957 243.4
[M]+ 609.23435 231.3
[M]- 609.23545 231.3
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

No patent data available for this compound.