CID 71721508

Di(pyridin-3-yl) hexane-1,6-diylbis(methylcarbamate)

Structural Information

Molecular Formula
C20H26N4O4
SMILES
CN(CCCCCCN(C)C(=O)OC1=CN=CC=C1)C(=O)OC2=CN=CC=C2
InChI
InChI=1S/C20H26N4O4/c1-23(19(25)27-17-9-7-11-21-15-17)13-5-3-4-6-14-24(2)20(26)28-18-10-8-12-22-16-18/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKey
YCEBUCSHXWRUJW-UHFFFAOYSA-N
Compound name
pyridin-3-yl N-methyl-N-[6-[methyl(pyridin-3-yloxycarbonyl)amino]hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20268 191.5
[M+Na]+ 409.18462 200.9
[M+NH4]+ 404.22922 195.7
[M+K]+ 425.15856 196.0
[M-H]- 385.18812 193.8
[M+Na-2H]- 407.17007 198.0
[M]+ 386.19485 193.0
[M]- 386.19595 193.0
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

No patent data available for this compound.