CID 5465542

Nsc652202

Structural Information

Molecular Formula
C23H18N2O3
SMILES
CC1=C(C(=O)N(N1)C(=O)CC2=CC=CC=C2)/C=C/3\C(=O)C=CC4=CC=CC=C43
InChI
InChI=1S/C23H18N2O3/c1-15-19(14-20-18-10-6-5-9-17(18)11-12-21(20)26)23(28)25(24-15)22(27)13-16-7-3-2-4-8-16/h2-12,14,24H,13H2,1H3/b20-14-
InChIKey
HFWIHSANEYYNGB-ZHZULCJRSA-N
Compound name
5-methyl-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-2-(2-phenylacetyl)-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.13174 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13902 189.6
[M+Na]+ 393.12096 198.3
[M-H]- 369.12446 196.9
[M+NH4]+ 388.16556 200.9
[M+K]+ 409.09490 190.4
[M+H-H2O]+ 353.12900 179.6
[M+HCOO]- 415.12994 207.2
[M+CH3COO]- 429.14559 199.2
[M+Na-2H]- 391.10641 189.1
[M]+ 370.13119 188.9
[M]- 370.13229 188.9
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.