CID 48674

Ro 2-2043

Structural Information

Molecular Formula
C16H28N3O2
SMILES
CC(C)N(C(C)C)C(=O)OC1=C(N=CC=C1)C[N+](C)(C)C
InChI
InChI=1S/C16H28N3O2/c1-12(2)18(13(3)4)16(20)21-15-9-8-10-17-14(15)11-19(5,6)7/h8-10,12-13H,11H2,1-7H3/q+1
InChIKey
BJWFDQVSROWVOB-UHFFFAOYSA-N
Compound name
[3-[di(propan-2-yl)carbamoyloxy]pyridin-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21814 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22542 169.3
[M+Na]+ 317.20736 180.2
[M+NH4]+ 312.25196 176.5
[M+K]+ 333.18130 177.0
[M-H]- 293.21086 172.4
[M+Na-2H]- 315.19281 175.0
[M]+ 294.21759 171.9
[M]- 294.21869 171.9
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.