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 169.5
[M+Na]+ 302.18389 173.5
[M-H]- 278.18739 174.1
[M+NH4]+ 297.22849 184.9
[M+K]+ 318.15783 174.8
[M+H-H2O]+ 262.19193 161.0
[M+HCOO]- 324.19287 191.6
[M+CH3COO]- 338.20852 214.5
[M+Na-2H]- 300.16934 169.5
[M]+ 279.19412 173.7
[M]- 279.19522 173.7
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.