CID 981598

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

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H23N3O5/c1-13-18(21(26)24(23(13)2)15-9-7-6-8-10-15)22-20(25)14-11-16(27-3)19(29-5)17(12-14)28-4/h6-12H,1-5H3,(H,22,25)
InChIKey
RXCPZVOWGQUCLV-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.16376 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 193.3
[M+Na]+ 420.15298 202.7
[M-H]- 396.15648 202.2
[M+NH4]+ 415.19758 203.6
[M+K]+ 436.12692 199.3
[M+H-H2O]+ 380.16102 183.1
[M+HCOO]- 442.16196 215.9
[M+CH3COO]- 456.17761 226.8
[M+Na-2H]- 418.13843 192.1
[M]+ 397.16321 200.9
[M]- 397.16431 200.9
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.