CID 3051268

Ro 2-0608

Structural Information

Molecular Formula
C15H24N3O2
SMILES
CN1CC[N+](CC1)(C)C2=CC(=CC=C2)OC(=O)N(C)C
InChI
InChI=1S/C15H24N3O2/c1-16(2)15(19)20-14-7-5-6-13(12-14)18(4)10-8-17(3)9-11-18/h5-7,12H,8-11H2,1-4H3/q+1
InChIKey
UDNXUCRDJGEEKL-UHFFFAOYSA-N
Compound name
[3-(1,4-dimethylpiperazin-1-ium-1-yl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.18686 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19414 164.5
[M+Na]+ 301.17608 169.5
[M-H]- 277.17958 169.5
[M+NH4]+ 296.22068 180.0
[M+K]+ 317.15002 162.7
[M+H-H2O]+ 261.18412 158.4
[M+HCOO]- 323.18506 182.3
[M+CH3COO]- 337.20071 197.2
[M+Na-2H]- 299.16153 170.0
[M]+ 278.18631 161.9
[M]- 278.18741 161.9
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.