CID 9821437

N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C20H24N4O4
SMILES
CCCCC1=NC2=CC=NN2C(=C1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H24N4O4/c1-5-6-7-14-12-18(24-17(22-14)8-9-21-24)23-20(25)13-10-15(26-2)19(28-4)16(11-13)27-3/h8-12H,5-7H2,1-4H3,(H,23,25)
InChIKey
MNHNKSHVCZIRDP-UHFFFAOYSA-N
Compound name
N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

36
Patents

384.17975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18703 192.9
[M+Na]+ 407.16897 206.0
[M+NH4]+ 402.21357 197.7
[M+K]+ 423.14291 201.6
[M-H]- 383.17247 194.9
[M+Na-2H]- 405.15442 198.2
[M]+ 384.17920 195.1
[M]- 384.18030 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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