CID 3074957

169128-43-2

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)CN(C)C2CCCCC2
InChI
InChI=1S/C16H25N3O2/c1-18(2)16(20)21-15-10-7-11-17-14(15)12-19(3)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKey
LYHXVAKLEPGMNM-UHFFFAOYSA-N
Compound name
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 170.6
[M+Na]+ 314.183888 172.7
[M-H]- 290.187394 177.2
[M+NH4]+ 309.228493 184.7
[M+K]+ 330.157828 172.6
[M+H-H2O]+ 274.191930 160.8
[M+HCOO]- 336.192871 191.3
[M+CH3COO]- 350.208521 212.3
[M+Na-2H]- 312.169336 172.2
[M]+ 291.19412142 169.4
[M]- 291.19521858 169.4
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.