CID 74784

1965-82-8

Structural Information

Molecular Formula
C29H18N4O4
SMILES
C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)OC6=CC=CC=C6
InChI
InChI=1S/C29H18N4O4/c34-25-20-14-7-8-15-21(20)26(35)24-22(25)16-9-17-23(24)30-27-31-28(36-18-10-3-1-4-11-18)33-29(32-27)37-19-12-5-2-6-13-19/h1-17H,(H,30,31,32,33)
InChIKey
LAUUHTWOJVACTC-UHFFFAOYSA-N
Compound name
1-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1328 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14008 220.0
[M+Na]+ 509.12202 239.6
[M+NH4]+ 504.16662 226.8
[M+K]+ 525.09596 228.8
[M-H]- 485.12552 229.1
[M+Na-2H]- 507.10747 231.9
[M]+ 486.13225 225.7
[M]- 486.13335 225.7
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.