CID 44724132

51421-11-5

Structural Information

Molecular Formula
C14H13N3O
SMILES
C1C(=NN(C1=O)CC2=CC=CC3=CC=CC=C32)N
InChI
InChI=1S/C14H13N3O/c15-13-8-14(18)17(16-13)9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,15,16)
InChIKey
DBYDZADEAMAUNV-UHFFFAOYSA-N
Compound name
5-amino-2-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10587 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.7
[M+Na]+ 262.09509 167.4
[M+NH4]+ 257.13969 162.1
[M+K]+ 278.06903 161.8
[M-H]- 238.09859 157.7
[M+Na-2H]- 260.08054 161.1
[M]+ 239.10532 156.7
[M]- 239.10642 156.7
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.