CID 3079077

1-ethoxycarbonyl-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCOC(=O)N1C(CC=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O2/c1-2-16-12(15)14-11(8-9-13-14)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
InChIKey
PJLJTYCTXHSVAA-UHFFFAOYSA-N
Compound name
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

218.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.4
[M+Na]+ 241.09475 161.5
[M+NH4]+ 236.13935 156.8
[M+K]+ 257.06869 157.2
[M-H]- 217.09825 151.3
[M+Na-2H]- 239.08020 156.3
[M]+ 218.10498 151.5
[M]- 218.10608 151.5
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

patents stripe