CID 49112

Ro 2-1127

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CN(C)CC1=C(C=CC2=CC=CC=C21)OC(=O)N(C)C
InChI
InChI=1S/C16H20N2O2/c1-17(2)11-14-13-8-6-5-7-12(13)9-10-15(14)20-16(19)18(3)4/h5-10H,11H2,1-4H3
InChIKey
LUVJWDHIYMGGIY-UHFFFAOYSA-N
Compound name
[1-[(dimethylamino)methyl]naphthalen-2-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 164.0
[M+Na]+ 295.141688 170.1
[M-H]- 271.145194 171.1
[M+NH4]+ 290.186293 182.2
[M+K]+ 311.115628 169.6
[M+H-H2O]+ 255.149730 156.1
[M+HCOO]- 317.150671 188.7
[M+CH3COO]- 331.166321 211.6
[M+Na-2H]- 293.127136 168.2
[M]+ 272.15192142 168.3
[M]- 272.15301858 168.3
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.