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]+ 279.087656 162.3
[M+Na]+ 301.069598 174.9
[M-H]- 277.073104 167.2
[M+NH4]+ 296.114203 178.6
[M+K]+ 317.043538 169.1
[M+H-H2O]+ 261.077640 152.9
[M+HCOO]- 323.078581 182.7
[M+CH3COO]- 337.094231 174.8
[M+Na-2H]- 299.055046 166.3
[M]+ 278.07983142 165.8
[M]- 278.08092858 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.