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 169.6
[M+Na]+ 317.20736 173.8
[M-H]- 293.21086 174.5
[M+NH4]+ 312.25196 184.6
[M+K]+ 333.18130 169.0
[M+H-H2O]+ 277.21540 164.6
[M+HCOO]- 339.21634 190.4
[M+CH3COO]- 353.23199 209.5
[M+Na-2H]- 315.19281 174.0
[M]+ 294.21759 172.4
[M]- 294.21869 172.4
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.