CID 118110201

Slc-391

Structural Information

Molecular Formula
C19H23N7O
SMILES
C1CC1CC2=NN=C(O2)C3=C(N=CC(=C3)C4=CN(N=C4)C5CCNCC5)N
InChI
InChI=1S/C19H23N7O/c20-18-16(19-25-24-17(27-19)7-12-1-2-12)8-13(9-22-18)14-10-23-26(11-14)15-3-5-21-6-4-15/h8-12,15,21H,1-7H2,(H2,20,22)
InChIKey
JYVSYFGHYFXYBE-UHFFFAOYSA-N
Compound name
3-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

422
Patents

365.1964 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20368 192.3
[M+Na]+ 388.18562 201.4
[M-H]- 364.18912 199.9
[M+NH4]+ 383.23022 192.9
[M+K]+ 404.15956 193.1
[M+H-H2O]+ 348.19366 180.9
[M+HCOO]- 410.19460 207.2
[M+CH3COO]- 424.21025 199.6
[M+Na-2H]- 386.17107 190.1
[M]+ 365.19585 190.9
[M]- 365.19695 190.9
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