CID 136928098

1633350-04-5

Structural Information

Molecular Formula
C24H27N5O2
SMILES
C1CNCCC1C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H27N5O2/c25-23(30)21-22(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)28-29-20(12-15-27-24(21)29)16-10-13-26-14-11-16/h1-9,16,20,26-27H,10-15H2,(H2,25,30)
InChIKey
GNEOXABCHHVVEA-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

417.21646 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22374 198.9
[M+Na]+ 440.20568 201.2
[M-H]- 416.20918 202.9
[M+NH4]+ 435.25028 203.0
[M+K]+ 456.17962 192.9
[M+H-H2O]+ 400.21372 186.1
[M+HCOO]- 462.21466 207.2
[M+CH3COO]- 476.23031 203.6
[M+Na-2H]- 438.19113 196.8
[M]+ 417.21591 188.7
[M]- 417.21701 188.7
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