CID 118753068

Lha4v5x6tc

Structural Information

Molecular Formula
C20H23FN4O3
SMILES
CCNC(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)CO
InChI
InChI=1S/C20H23FN4O3/c1-3-22-18(27)11-17-19(14-4-6-16(7-5-14)28-9-8-21)24-25-13(2)10-15(12-26)23-20(17)25/h4-7,10,26H,3,8-9,11-12H2,1-2H3,(H,22,27)
InChIKey
XVEMLJMKAADARM-UHFFFAOYSA-N
Compound name
N-ethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-(hydroxymethyl)-7-methylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.1754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18268 192.5
[M+Na]+ 409.16462 201.4
[M-H]- 385.16812 194.5
[M+NH4]+ 404.20922 202.3
[M+K]+ 425.13856 195.4
[M+H-H2O]+ 369.17266 181.5
[M+HCOO]- 431.17360 210.9
[M+CH3COO]- 445.18925 221.9
[M+Na-2H]- 407.15007 193.6
[M]+ 386.17485 197.3
[M]- 386.17595 197.3
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.