CID 58266779

Gdc-0425

Structural Information

Molecular Formula
C18H19N5O
SMILES
CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4
InChI
InChI=1S/C18H19N5O/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22)
InChIKey
XEZLBMHDUXSICI-UHFFFAOYSA-N
Compound name
3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

92
Patents

321.15897 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16625 182.2
[M+Na]+ 344.14819 195.7
[M+NH4]+ 339.19279 186.0
[M+K]+ 360.12213 186.1
[M-H]- 320.15169 177.2
[M+Na-2H]- 342.13364 184.5
[M]+ 321.15842 181.9
[M]- 321.15952 181.9
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