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

26
Patents

384.17975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.187026 192.4
[M+Na]+ 407.168968 201.4
[M-H]- 383.172474 197.1
[M+NH4]+ 402.213573 202.9
[M+K]+ 423.142908 197.4
[M+H-H2O]+ 367.177010 181.9
[M+HCOO]- 429.177951 213.4
[M+CH3COO]- 443.193601 223.8
[M+Na-2H]- 405.154416 194.6
[M]+ 384.17920142 201.3
[M]- 384.18029858 201.3
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