CID 209212

19477-42-0

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CCN(CC)CCOC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC
InChI
InChI=1S/C19H27N3O3/c1-5-21(6-2)13-14-25-18-17(19(23)24-7-3)15(4)20-22(18)16-11-9-8-10-12-16/h8-12H,5-7,13-14H2,1-4H3
InChIKey
AMEGEQALTYHMJC-UHFFFAOYSA-N
Compound name
ethyl 5-[2-(diethylamino)ethoxy]-3-methyl-1-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20523 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 184.9
[M+Na]+ 368.19445 190.9
[M-H]- 344.19795 190.2
[M+NH4]+ 363.23905 197.8
[M+K]+ 384.16839 188.7
[M+H-H2O]+ 328.20249 174.9
[M+HCOO]- 390.20343 207.0
[M+CH3COO]- 404.21908 219.3
[M+Na-2H]- 366.17990 184.3
[M]+ 345.20468 192.1
[M]- 345.20578 192.1
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

No patent data available for this compound.