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]+ 362.14992 185.2
[M+Na]+ 384.13186 200.6
[M+NH4]+ 379.17646 191.9
[M+K]+ 400.10580 197.6
[M-H]- 360.13536 191.7
[M+Na-2H]- 382.11731 192.6
[M]+ 361.14209 189.3
[M]- 361.14319 189.3
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.