CID 363843

Nsc629108

Structural Information

Molecular Formula
C15H12N4O2
SMILES
C1=CC2=C(C=C1C(=N)N)C(=O)C3=C(O2)C=CC(=C3)C(=N)N
InChI
InChI=1S/C15H12N4O2/c16-14(17)7-1-3-11-9(5-7)13(20)10-6-8(15(18)19)2-4-12(10)21-11/h1-6H,(H3,16,17)(H3,18,19)
InChIKey
WJWXOXDAROMZBZ-UHFFFAOYSA-N
Compound name
9-oxoxanthene-2,7-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

280.09604 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 161.7
[M+Na]+ 303.08526 170.8
[M-H]- 279.08876 168.0
[M+NH4]+ 298.12986 176.8
[M+K]+ 319.05920 167.1
[M+H-H2O]+ 263.09330 154.0
[M+HCOO]- 325.09424 185.9
[M+CH3COO]- 339.10989 212.9
[M+Na-2H]- 301.07071 169.1
[M]+ 280.09549 159.9
[M]- 280.09659 159.9
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.