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]+ 304.108046 169.9
[M+Na]+ 326.089988 180.1
[M-H]- 302.093494 177.8
[M+NH4]+ 321.134593 185.1
[M+K]+ 342.063928 174.2
[M+H-H2O]+ 286.098030 160.2
[M+HCOO]- 348.098971 190.9
[M+CH3COO]- 362.114621 181.8
[M+Na-2H]- 324.075436 171.1
[M]+ 303.10022142 171.2
[M]- 303.10131858 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.