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

249
Patents

352.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 185.9
[M+Na]+ 375.17912 188.9
[M-H]- 351.18262 192.0
[M+NH4]+ 370.22372 188.5
[M+K]+ 391.15306 190.9
[M+H-H2O]+ 335.18716 169.9
[M+HCOO]- 397.18810 199.6
[M+CH3COO]- 411.20375 193.0
[M+Na-2H]- 373.16457 188.0
[M]+ 352.18935 188.7
[M]- 352.19045 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

literature stripe

Patent stripe

patents stripe