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]+ 353.19718 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.