CID 9955657

Moxilubant maleate

Structural Information

Molecular Formula
C26H37N3O4
SMILES
CC(C)N(C(C)C)C(=O)C1=CC(=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=N)N)OC
InChI
InChI=1S/C26H37N3O4/c1-18(2)29(19(3)4)26(30)21-11-14-23(24(17-21)31-5)33-16-8-6-7-15-32-22-12-9-20(10-13-22)25(27)28/h9-14,17-19H,6-8,15-16H2,1-5H3,(H3,27,28)
InChIKey
VAYJLOGCWOXMAS-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoylphenoxy)pentoxy]-3-methoxy-N,N-di(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

822
Patents

455.2784 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.28568 215.6
[M+Na]+ 478.26762 222.8
[M+NH4]+ 473.31222 219.2
[M+K]+ 494.24156 218.1
[M-H]- 454.27112 218.8
[M+Na-2H]- 476.25307 218.8
[M]+ 455.27785 217.0
[M]- 455.27895 217.0
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