CID 118753119

Dpa-714 metabolite m6a

Structural Information

Molecular Formula
C22H27FN4O4
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)CO)CO
InChI
InChI=1S/C22H27FN4O4/c1-3-26(4-2)20(30)12-19-21(15-5-7-18(8-6-15)31-10-9-23)25-27-17(14-29)11-16(13-28)24-22(19)27/h5-8,11,28-29H,3-4,9-10,12-14H2,1-2H3
InChIKey
LHPXGUQPDQIIDB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-bis(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.20163 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20891 204.6
[M+Na]+ 453.19085 215.2
[M+NH4]+ 448.23545 207.7
[M+K]+ 469.16479 211.5
[M-H]- 429.19435 204.2
[M+Na-2H]- 451.17630 207.6
[M]+ 430.20108 205.5
[M]- 430.20218 205.5
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.