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 164.4
[M+Na]+ 304.10564 172.0
[M-H]- 280.10914 170.3
[M+NH4]+ 299.15024 177.3
[M+K]+ 320.07958 167.7
[M+H-H2O]+ 264.11368 153.8
[M+HCOO]- 326.11462 184.3
[M+CH3COO]- 340.13027 175.5
[M+Na-2H]- 302.09109 167.3
[M]+ 281.11587 164.5
[M]- 281.11697 164.5
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