CID 56904343

(s)-zinc 3573

Structural Information

Molecular Formula
C18H21N5
SMILES
CN(C)C1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4
InChI
InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3
InChIKey
XKBSPAZCFAIBJL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

307.1797 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18698 172.1
[M+Na]+ 330.16892 180.4
[M-H]- 306.17242 179.6
[M+NH4]+ 325.21352 186.2
[M+K]+ 346.14286 175.4
[M+H-H2O]+ 290.17696 160.8
[M+HCOO]- 352.17790 192.6
[M+CH3COO]- 366.19355 183.1
[M+Na-2H]- 328.15437 174.0
[M]+ 307.17915 172.8
[M]- 307.18025 172.8
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

No patent data available for this compound.