CID 11380411

746677-39-4

Structural Information

Molecular Formula
C15H10N4O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=NC4=CC=NN34
InChI
InChI=1S/C15H10N4O2/c20-14-11-3-1-2-4-12(11)15(21)18(14)9-10-5-7-16-13-6-8-17-19(10)13/h1-8H,9H2
InChIKey
NLOZNSSVIQJDJK-UHFFFAOYSA-N
Compound name
2-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08038 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08766 162.3
[M+Na]+ 301.06960 174.9
[M-H]- 277.07310 167.2
[M+NH4]+ 296.11420 178.6
[M+K]+ 317.04354 169.1
[M+H-H2O]+ 261.07764 152.9
[M+HCOO]- 323.07858 182.7
[M+CH3COO]- 337.09423 174.8
[M+Na-2H]- 299.05505 166.3
[M]+ 278.07983 165.8
[M]- 278.08093 165.8
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.