CID 48320

Ro 2-2279

Structural Information

Molecular Formula
C18H32N3O2
SMILES
CCCC[N+](C)(CCCC)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C18H32N3O2/c1-6-8-13-21(5,14-9-7-2)15-16-17(11-10-12-19-16)23-18(22)20(3)4/h10-12H,6-9,13-15H2,1-5H3/q+1
InChIKey
HJXJRSYYMWBHGE-UHFFFAOYSA-N
Compound name
dibutyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.24945 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25673 180.7
[M+Na]+ 345.23867 184.4
[M-H]- 321.24217 185.0
[M+NH4]+ 340.28327 194.6
[M+K]+ 361.21261 178.0
[M+H-H2O]+ 305.24671 174.8
[M+HCOO]- 367.24765 202.7
[M+CH3COO]- 381.26330 214.0
[M+Na-2H]- 343.22412 186.2
[M]+ 322.24890 185.5
[M]- 322.25000 185.5
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.