CID 368118

Nsc638460

Structural Information

Molecular Formula
C18H10N4O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N4C=C(C(=O)NC4=O)C#N
InChI
InChI=1S/C18H10N4O2/c19-9-11-10-22(18(24)21-17(11)23)16-12-5-1-3-7-14(12)20-15-8-4-2-6-13(15)16/h1-8,10H,(H,21,23,24)
InChIKey
QQLHXMPAXNMATQ-UHFFFAOYSA-N
Compound name
1-acridin-9-yl-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08766 178.3
[M+Na]+ 337.06960 192.5
[M-H]- 313.07310 179.9
[M+NH4]+ 332.11420 188.1
[M+K]+ 353.04354 181.7
[M+H-H2O]+ 297.07764 161.2
[M+HCOO]- 359.07858 192.8
[M+CH3COO]- 373.09423 187.0
[M+Na-2H]- 335.05505 185.0
[M]+ 314.07983 174.1
[M]- 314.08093 174.1
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.