CID 1157494

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C21H19N3O3
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C21H19N3O3/c1-13-16-11-7-8-12-17(16)27-19(13)20(25)22-18-14(2)23(3)24(21(18)26)15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)
InChIKey
GGSCRXWEIRWZSW-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

361.14264 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.149916 185.8
[M+Na]+ 384.131858 197.3
[M-H]- 360.135364 197.0
[M+NH4]+ 379.176463 199.3
[M+K]+ 400.105798 192.8
[M+H-H2O]+ 344.139900 177.3
[M+HCOO]- 406.140841 209.2
[M+CH3COO]- 420.156491 198.2
[M+Na-2H]- 382.117306 186.3
[M]+ 361.14209142 192.1
[M]- 361.14318858 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.