CID 95882507

(r)-zinc-3573

Structural Information

Molecular Formula
C18H21N5
SMILES
CN(C)[C@@H]1CCN(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/t15-/m1/s1
InChIKey
XKBSPAZCFAIBJL-OAHLLOKOSA-N
Compound name
(3R)-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

2
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

patents stripe