CID 146502834

Kb-0742

Structural Information

Molecular Formula
C16H25N5
SMILES
CCC(CC)C1=NC2=CC=NN2C(=C1)N[C@H]3CC[C@@H](C3)N
InChI
InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3/t12-,13-/m0/s1
InChIKey
VYKCLMALANGCDF-STQMWFEESA-N
Compound name
(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

287.211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21828 168.6
[M+Na]+ 310.20022 175.2
[M-H]- 286.20372 172.3
[M+NH4]+ 305.24482 184.3
[M+K]+ 326.17416 170.7
[M+H-H2O]+ 270.20826 159.2
[M+HCOO]- 332.20920 188.9
[M+CH3COO]- 346.22485 178.9
[M+Na-2H]- 308.18567 169.1
[M]+ 287.21045 167.4
[M]- 287.21155 167.4
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