CID 199731

Brn 0374831

Structural Information

Molecular Formula
C33H21N3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=O)N(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76
InChI
InChI=1S/C33H21N3O3/c37-31-34(28-19-7-13-22-10-1-4-16-25(22)28)32(38)36(30-21-9-15-24-12-3-6-18-27(24)30)33(39)35(31)29-20-8-14-23-11-2-5-17-26(23)29/h1-21H
InChIKey
FQKAVBQBCGHCDQ-UHFFFAOYSA-N
Compound name
1,3,5-trinaphthalen-1-yl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.1583 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.16558 231.6
[M+Na]+ 530.14752 242.6
[M-H]- 506.15102 242.8
[M+NH4]+ 525.19212 234.8
[M+K]+ 546.12146 232.1
[M+H-H2O]+ 490.15556 214.1
[M+HCOO]- 552.15650 246.4
[M+CH3COO]- 566.17215 238.2
[M+Na-2H]- 528.13297 236.5
[M]+ 507.15775 233.2
[M]- 507.15885 233.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.