CID 3074951

169128-37-4

Structural Information

Molecular Formula
C16H27N3O2
SMILES
CCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C16H27N3O2/c1-5-6-7-8-12-19(4)13-14-15(10-9-11-17-14)21-16(20)18(2)3/h9-11H,5-8,12-13H2,1-4H3
InChIKey
AKKJBDBTLXYZHW-UHFFFAOYSA-N
Compound name
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21033 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.217606 174.3
[M+Na]+ 316.199548 178.3
[M-H]- 292.203054 178.5
[M+NH4]+ 311.244153 189.2
[M+K]+ 332.173488 178.3
[M+H-H2O]+ 276.207590 165.2
[M+HCOO]- 338.208531 198.0
[M+CH3COO]- 352.224181 215.6
[M+Na-2H]- 314.184996 176.1
[M]+ 293.20978142 180.1
[M]- 293.21087858 180.1
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.