CID 118753044

Deethyl dpa-714

Structural Information

Molecular Formula
C20H23FN4O2
SMILES
CCNC(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)C
InChI
InChI=1S/C20H23FN4O2/c1-4-22-18(26)12-17-19(15-5-7-16(8-6-15)27-10-9-21)24-25-14(3)11-13(2)23-20(17)25/h5-8,11H,4,9-10,12H2,1-3H3,(H,22,26)
InChIKey
IGPHRGQVBIEWSO-UHFFFAOYSA-N
Compound name
N-ethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1805 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18778 190.1
[M+Na]+ 393.16972 199.8
[M-H]- 369.17322 193.3
[M+NH4]+ 388.21432 201.4
[M+K]+ 409.14366 193.7
[M+H-H2O]+ 353.17776 178.9
[M+HCOO]- 415.17870 209.8
[M+CH3COO]- 429.19435 222.1
[M+Na-2H]- 391.15517 191.4
[M]+ 370.17995 195.3
[M]- 370.18105 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.