CID 10452732

Bevenopran

Structural Information

Molecular Formula
C20H26N4O4
SMILES
COC1=C(C=CC(=C1)CNCCC2CCOCC2)OC3=NC=C(N=C3)C(=O)N
InChI
InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)
InChIKey
ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
Compound name
5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

170
Patents

386.1954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20268 193.0
[M+Na]+ 409.18462 195.7
[M-H]- 385.18812 198.9
[M+NH4]+ 404.22922 198.5
[M+K]+ 425.15856 193.0
[M+H-H2O]+ 369.19266 180.8
[M+HCOO]- 431.19360 210.0
[M+CH3COO]- 445.20925 224.2
[M+Na-2H]- 407.17007 195.0
[M]+ 386.19485 191.9
[M]- 386.19595 191.9
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