CID 15956855

Schembl6453987

Structural Information

Molecular Formula
C21H17N3O2
SMILES
CCOC(=O)C1=CC(=NN1C2=CC=CC=N2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H17N3O2/c1-2-26-21(25)19-14-18(23-24(19)20-9-5-6-12-22-20)17-11-10-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3
InChIKey
LDXBCWAAEYMWDH-UHFFFAOYSA-N
Compound name
ethyl 5-naphthalen-2-yl-2-pyridin-2-ylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.13208 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 182.1
[M+Na]+ 366.12130 191.6
[M-H]- 342.12480 189.5
[M+NH4]+ 361.16590 193.6
[M+K]+ 382.09524 185.1
[M+H-H2O]+ 326.12934 170.7
[M+HCOO]- 388.13028 202.6
[M+CH3COO]- 402.14593 192.8
[M+Na-2H]- 364.10675 186.4
[M]+ 343.13153 185.6
[M]- 343.13263 185.6
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