CID 5480410

Nsc67789

Structural Information

Molecular Formula
C14H10N8O2
SMILES
C1=CC=C(C=C1)N2/C(=C\N=NC3=NC=NC4=C3NC=N4)/C(=O)ON2
InChI
InChI=1S/C14H10N8O2/c23-14-10(22(21-24-14)9-4-2-1-3-5-9)6-19-20-13-11-12(16-7-15-11)17-8-18-13/h1-8,21H,(H,15,16,17,18)/b10-6-,20-19?
InChIKey
QNURQAOLJPACSX-NGUWTDETSA-N
Compound name
(4Z)-3-phenyl-4-[(7H-purin-6-yldiazenyl)methylidene]oxadiazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09268 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09996 170.3
[M+Na]+ 345.08190 180.1
[M-H]- 321.08540 175.3
[M+NH4]+ 340.12650 178.4
[M+K]+ 361.05584 174.5
[M+H-H2O]+ 305.08994 158.6
[M+HCOO]- 367.09088 189.7
[M+CH3COO]- 381.10653 180.3
[M+Na-2H]- 343.06735 175.7
[M]+ 322.09213 169.9
[M]- 322.09323 169.9
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.