CID 3078471

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

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC=CC=C1C2CC=NN2C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)14-8-10-18-19(14)16(20)12-5-4-9-17-11-12/h2-7,9-11,14H,8H2,1H3
InChIKey
RSYDSJSKTIGMSX-UHFFFAOYSA-N
Compound name
[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

281.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.123696 164.4
[M+Na]+ 304.105638 172.0
[M-H]- 280.109144 170.3
[M+NH4]+ 299.150243 177.3
[M+K]+ 320.079578 167.7
[M+H-H2O]+ 264.113680 153.8
[M+HCOO]- 326.114621 184.3
[M+CH3COO]- 340.130271 175.5
[M+Na-2H]- 302.091086 167.3
[M]+ 281.11587142 164.5
[M]- 281.11696858 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