CID 51497

Ro 2-2750

Structural Information

Molecular Formula
C16H28N3O2
SMILES
CCC[N+](C)(CCC)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C16H28N3O2/c1-6-11-19(5,12-7-2)13-14-15(9-8-10-17-14)21-16(20)18(3)4/h8-10H,6-7,11-13H2,1-5H3/q+1
InChIKey
OGAUEUPEQIPXQI-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-methyl-dipropylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22542 170.1
[M+Na]+ 317.20736 181.7
[M+NH4]+ 312.25196 177.5
[M+K]+ 333.18130 176.8
[M-H]- 293.21086 173.6
[M+Na-2H]- 315.19281 176.4
[M]+ 294.21759 173.0
[M]- 294.21869 173.0
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.