CID 49102

Ro 2-2421

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CC(C)N(C(C)C)C(=O)OC1=C(N=CC=C1)CN(C)C
InChI
InChI=1S/C15H25N3O2/c1-11(2)18(12(3)4)15(19)20-14-8-7-9-16-13(14)10-17(5)6/h7-9,11-12H,10H2,1-6H3
InChIKey
SYUBHPUUUKWSJM-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]pyridin-3-yl] N,N-di(propan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.19467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 167.8
[M+Na]+ 302.18389 176.6
[M+NH4]+ 297.22849 173.8
[M+K]+ 318.15783 172.8
[M-H]- 278.18739 169.4
[M+Na-2H]- 300.16934 172.1
[M]+ 279.19412 169.2
[M]- 279.19522 169.2
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.