CID 71721508

Pyridin-3-yl n-methyl-n-(6-{methyl[(pyridin-3-yloxy)carbonyl]amino}hexyl)carbamate

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 193.5
[M+Na]+ 409.18462 195.7
[M-H]- 385.18812 198.9
[M+NH4]+ 404.22922 202.0
[M+K]+ 425.15856 195.1
[M+H-H2O]+ 369.19266 181.6
[M+HCOO]- 431.19360 215.5
[M+CH3COO]- 445.20925 227.4
[M+Na-2H]- 407.17007 196.1
[M]+ 386.19485 199.3
[M]- 386.19595 199.3
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.