CID 74784

9,10-anthracenedione, 1-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]-

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 217.9
[M+Na]+ 509.12202 225.2
[M-H]- 485.12552 227.6
[M+NH4]+ 504.16662 220.6
[M+K]+ 525.09596 217.3
[M+H-H2O]+ 469.13006 201.7
[M+HCOO]- 531.13100 233.9
[M+CH3COO]- 545.14665 224.4
[M+Na-2H]- 507.10747 224.0
[M]+ 486.13225 218.5
[M]- 486.13335 218.5
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.