CID 135948779

Desmethyl-dpa-713

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)O)C)C
InChI
InChI=1S/C20H24N4O2/c1-5-23(6-2)18(26)12-17-19(15-7-9-16(25)10-8-15)22-24-14(4)11-13(3)21-20(17)24/h7-11,25H,5-6,12H2,1-4H3
InChIKey
XNPWVZZOTNFVLY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(4-hydroxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

352.1899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 187.3
[M+Na]+ 375.17912 196.6
[M-H]- 351.18262 192.1
[M+NH4]+ 370.22372 199.3
[M+K]+ 391.15306 191.7
[M+H-H2O]+ 335.18716 177.4
[M+HCOO]- 397.18810 207.1
[M+CH3COO]- 411.20375 220.4
[M+Na-2H]- 373.16457 188.1
[M]+ 352.18935 193.0
[M]- 352.19045 193.0
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

patents stripe