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 153.1
[M+Na]+ 262.09509 162.2
[M-H]- 238.09859 158.1
[M+NH4]+ 257.13969 170.4
[M+K]+ 278.06903 157.1
[M+H-H2O]+ 222.10313 144.5
[M+HCOO]- 284.10407 174.9
[M+CH3COO]- 298.11972 165.4
[M+Na-2H]- 260.08054 157.9
[M]+ 239.10532 151.6
[M]- 239.10642 151.6
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.