CID 50675

Ro 2-2288

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCN(CC)CC1=C(C=CC=N1)OC(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C18H23N3O2/c1-4-21(5-2)14-16-17(12-9-13-19-16)23-18(22)20(3)15-10-7-6-8-11-15/h6-13H,4-5,14H2,1-3H3
InChIKey
DVNRWLHKLJNNPV-UHFFFAOYSA-N
Compound name
[2-(diethylaminomethyl)pyridin-3-yl] N-methyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 176.5
[M+Na]+ 336.16824 180.8
[M-H]- 312.17174 184.0
[M+NH4]+ 331.21284 190.0
[M+K]+ 352.14218 179.6
[M+H-H2O]+ 296.17628 166.2
[M+HCOO]- 358.17722 200.9
[M+CH3COO]- 372.19287 217.2
[M+Na-2H]- 334.15369 180.0
[M]+ 313.17847 180.3
[M]- 313.17957 180.3
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.