CID 372536

Nsc647713

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CN1C(=C(C(=O)N(C1=O)C)C2=C3C=CC=CC3=NC4=CC=CC=C42)N
InChI
InChI=1S/C19H16N4O2/c1-22-17(20)16(18(24)23(2)19(22)25)15-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)15/h3-10H,20H2,1-2H3
InChIKey
XEJLVTZDXJPZJB-UHFFFAOYSA-N
Compound name
5-acridin-9-yl-6-amino-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12732 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 182.0
[M+Na]+ 355.11654 195.7
[M-H]- 331.12004 187.8
[M+NH4]+ 350.16114 193.8
[M+K]+ 371.09048 188.1
[M+H-H2O]+ 315.12458 171.0
[M+HCOO]- 377.12552 201.9
[M+CH3COO]- 391.14117 193.3
[M+Na-2H]- 353.10199 188.5
[M]+ 332.12677 185.4
[M]- 332.12787 185.4
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.