CID 10473209

Gsk207040

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CNC(=O)C1=CN=C(C=N1)OC2=CC3=C(CCN(CC3)C4CCC4)C=C2
InChI
InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)
InChIKey
DGWKVXVCPCPOAK-UHFFFAOYSA-N
Compound name
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

193
Patents

352.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 185.9
[M+Na]+ 375.179118 188.9
[M-H]- 351.182624 192.0
[M+NH4]+ 370.223723 188.5
[M+K]+ 391.153058 190.9
[M+H-H2O]+ 335.187160 169.9
[M+HCOO]- 397.188101 199.6
[M+CH3COO]- 411.203751 193.0
[M+Na-2H]- 373.164566 188.0
[M]+ 352.18935142 188.7
[M]- 352.19044858 188.7
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

No patent data available for this compound.