CID 6420204

Dpa-713 c-11

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)O[11CH3])C)C
InChI
InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3/i5-1
InChIKey
ILZWUAWCTNWSFZ-SFIIULIVSA-N
Compound name
N,N-diethyl-2-[2-(4-(111C)methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

365.217 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22428 191.4
[M+Na]+ 388.20622 200.8
[M-H]- 364.20972 197.4
[M+NH4]+ 383.25082 203.6
[M+K]+ 404.18016 196.4
[M+H-H2O]+ 348.21426 181.0
[M+HCOO]- 410.21520 212.4
[M+CH3COO]- 424.23085 225.6
[M+Na-2H]- 386.19167 192.1
[M]+ 365.21645 199.3
[M]- 365.21755 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe