CID 298400

2-((methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C15H25N3O2/c1-5-6-7-11-18(4)12-13-14(9-8-10-16-13)20-15(19)17(2)3/h8-10H,5-7,11-12H2,1-4H3
InChIKey
VCDSRFDBFGJTGC-UHFFFAOYSA-N
Compound name
[2-[[methyl(pentyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 169.7
[M+Na]+ 302.18389 174.1
[M-H]- 278.18739 174.1
[M+NH4]+ 297.22849 185.2
[M+K]+ 318.15783 174.3
[M+H-H2O]+ 262.19193 160.8
[M+HCOO]- 324.19287 193.7
[M+CH3COO]- 338.20852 212.6
[M+Na-2H]- 300.16934 172.0
[M]+ 279.19412 175.1
[M]- 279.19522 175.1
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.