CID 48661

Ro 2-0767

Structural Information

Molecular Formula
C17H23N2O2
SMILES
CN(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C[N+](C)(C)C
InChI
InChI=1S/C17H23N2O2/c1-18(2)17(20)21-16-11-10-13-8-6-7-9-14(13)15(16)12-19(3,4)5/h6-11H,12H2,1-5H3/q+1
InChIKey
PEUWTNOCRQPIPS-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.17596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18324 166.5
[M+Na]+ 310.16518 172.7
[M-H]- 286.16868 173.9
[M+NH4]+ 305.20978 184.2
[M+K]+ 326.13912 166.1
[M+H-H2O]+ 270.17322 162.0
[M+HCOO]- 332.17416 189.8
[M+CH3COO]- 346.18981 207.0
[M+Na-2H]- 308.15063 174.8
[M]+ 287.17541 169.5
[M]- 287.17651 169.5
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.