CID 3078476

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

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=CC=CC=C1C2CC=NN2C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H15N3O/c1-12-5-2-3-7-14(12)15-8-10-18-19(15)16(20)13-6-4-9-17-11-13/h2-7,9-11,15H,8H2,1H3
InChIKey
PYMFPCFJGVUZKE-UHFFFAOYSA-N
Compound name
[3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

265.12152 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.4
[M+Na]+ 288.11074 169.2
[M-H]- 264.11424 167.3
[M+NH4]+ 283.15534 175.1
[M+K]+ 304.08468 164.4
[M+H-H2O]+ 248.11878 151.0
[M+HCOO]- 310.11972 181.2
[M+CH3COO]- 324.13537 172.7
[M+Na-2H]- 286.09619 164.3
[M]+ 265.12097 160.2
[M]- 265.12207 160.2
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