CID 201256

Eupirone

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C18H17N3O3/c1-12-16(19-17(23)14-10-6-7-11-15(14)22)18(24)21(20(12)2)13-8-4-3-5-9-13/h3-11,22H,1-2H3,(H,19,23)
InChIKey
MCIXCJIARTZWCW-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.12698 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 174.7
[M+Na]+ 346.11620 183.9
[M-H]- 322.11970 182.1
[M+NH4]+ 341.16080 187.2
[M+K]+ 362.09014 178.6
[M+H-H2O]+ 306.12424 165.4
[M+HCOO]- 368.12518 196.7
[M+CH3COO]- 382.14083 208.7
[M+Na-2H]- 344.10165 175.8
[M]+ 323.12643 176.0
[M]- 323.12753 176.0
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

patents stripe