CID 42923

Nafazatrom

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CC1=NN(C(=O)C1)CCOC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11H,8-10H2,1H3
InChIKey
ISBUYSPRIJRBKX-UHFFFAOYSA-N
Compound name
5-methyl-2-(2-naphthalen-2-yloxyethyl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

93
References

1872
Patents

268.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 162.2
[M+Na]+ 291.11042 176.6
[M+NH4]+ 286.15502 170.4
[M+K]+ 307.08436 170.4
[M-H]- 267.11392 165.6
[M+Na-2H]- 289.09587 169.4
[M]+ 268.12065 165.2
[M]- 268.12175 165.2
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