CID 118753043

6-hydroxy dpa-714

Structural Information

Molecular Formula
C22H27FN4O3
SMILES
CCN(CC)C(=O)CC1=C2N=C(C(=C(N2N=C1C3=CC=C(C=C3)OCCF)C)O)C
InChI
InChI=1S/C22H27FN4O3/c1-5-26(6-2)19(28)13-18-20(16-7-9-17(10-8-16)30-12-11-23)25-27-15(4)21(29)14(3)24-22(18)27/h7-10,29H,5-6,11-13H2,1-4H3
InChIKey
OLHQKFBSYAZTLL-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-6-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.20673 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21401 202.2
[M+Na]+ 437.19595 211.2
[M-H]- 413.19945 205.7
[M+NH4]+ 432.24055 211.7
[M+K]+ 453.16989 206.2
[M+H-H2O]+ 397.20399 191.1
[M+HCOO]- 459.20493 220.3
[M+CH3COO]- 473.22058 232.2
[M+Na-2H]- 435.18140 200.8
[M]+ 414.20618 209.3
[M]- 414.20728 209.3
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.