CID 3078472

1-(3-pyridylcarbonyl)-5-(3-methoxyphenyl)-2-pyrazoline

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC=CC(=C1)C2CC=NN2C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H15N3O2/c1-21-14-6-2-4-12(10-14)15-7-9-18-19(15)16(20)13-5-3-8-17-11-13/h2-6,8-11,15H,7H2,1H3
InChIKey
LNMAMSJXXGPNQU-UHFFFAOYSA-N
Compound name
[3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

281.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 165.0
[M+Na]+ 304.10564 179.4
[M+NH4]+ 299.15024 172.1
[M+K]+ 320.07958 174.3
[M-H]- 280.10914 168.9
[M+Na-2H]- 302.09109 174.4
[M]+ 281.11587 168.1
[M]- 281.11697 168.1
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