CID 3078485

121306-87-4

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1C=NN(C1C2=CC=CC=C2)C(=O)NC3=CN=CC=C3
InChI
InChI=1S/C15H14N4O/c20-15(18-13-7-4-9-16-11-13)19-14(8-10-17-19)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2,(H,18,20)
InChIKey
SVKSJWSEMLOAHT-UHFFFAOYSA-N
Compound name
3-phenyl-N-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

266.11676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 159.9
[M+Na]+ 289.10598 166.3
[M-H]- 265.10948 165.6
[M+NH4]+ 284.15058 172.9
[M+K]+ 305.07992 161.6
[M+H-H2O]+ 249.11402 149.1
[M+HCOO]- 311.11496 181.1
[M+CH3COO]- 325.13061 170.7
[M+Na-2H]- 287.09143 164.9
[M]+ 266.11621 157.2
[M]- 266.11731 157.2
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