CID 121327414

Lti-291

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CCCCCOC1CCC(CC1)NC(=O)C2=C3N=C(C=C(N3N=C2)C)C
InChI
InChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h12-13,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKey
HZILSILAELSWKN-UHFFFAOYSA-N
Compound name
5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

358.23688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.244156 189.8
[M+Na]+ 381.226098 195.5
[M-H]- 357.229604 192.8
[M+NH4]+ 376.270703 201.1
[M+K]+ 397.200038 190.6
[M+H-H2O]+ 341.234140 179.3
[M+HCOO]- 403.235081 206.3
[M+CH3COO]- 417.250731 219.3
[M+Na-2H]- 379.211546 189.5
[M]+ 358.23633142 191.4
[M]- 358.23742858 191.4
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