CID 71757009

2-(1-benzyl-1h-pyrazol-4-yl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C18H13N3O2
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H13N3O2/c22-17-15-8-4-5-9-16(15)18(23)21(17)14-10-19-20(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKey
XGSLFFUZXMQEMR-UHFFFAOYSA-N
Compound name
2-(1-benzylpyrazol-4-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 169.9
[M+Na]+ 326.08999 180.1
[M-H]- 302.09349 177.8
[M+NH4]+ 321.13459 185.1
[M+K]+ 342.06393 174.2
[M+H-H2O]+ 286.09803 160.2
[M+HCOO]- 348.09897 190.9
[M+CH3COO]- 362.11462 181.8
[M+Na-2H]- 324.07544 171.1
[M]+ 303.10022 171.2
[M]- 303.10132 171.2
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.