CID 135796860

Brn 1836168

Structural Information

Molecular Formula
C28H22N6O4
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)N/C=C/NC(=O)OC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C28H22N6O4/c35-27(37-25-15-11-23(12-16-25)33-31-21-7-3-1-4-8-21)29-19-20-30-28(36)38-26-17-13-24(14-18-26)34-32-22-9-5-2-6-10-22/h1-20H,(H,29,35)(H,30,36)/b20-19+,33-31?,34-32?
InChIKey
ZFSBMJCZUDPSNI-KEIXRLQTSA-N
Compound name
(4-phenyldiazenylphenyl) N-[(E)-2-[(4-phenyldiazenylphenoxy)carbonylamino]ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.17026 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.17754 217.1
[M+Na]+ 529.15948 218.4
[M-H]- 505.16298 233.2
[M+NH4]+ 524.20408 222.2
[M+K]+ 545.13342 215.8
[M+H-H2O]+ 489.16752 202.1
[M+HCOO]- 551.16846 249.8
[M+CH3COO]- 565.18411 259.4
[M+Na-2H]- 527.14493 224.6
[M]+ 506.16971 219.3
[M]- 506.17081 219.3
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.