CID 145915736

2402836-51-3

Structural Information

Molecular Formula
C15H21ClN4O3
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C2=CN=C(N=C2)Cl
InChI
InChI=1S/C15H21ClN4O3/c1-15(2,3)23-14(22)19-11-4-6-20(7-5-11)12(21)10-8-17-13(16)18-9-10/h8-9,11H,4-7H2,1-3H3,(H,19,22)
InChIKey
URADHVVCCRNICM-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-chloropyrimidine-5-carbonyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.137496 178.9
[M+Na]+ 363.119438 184.1
[M-H]- 339.122944 180.9
[M+NH4]+ 358.164043 188.7
[M+K]+ 379.093378 180.6
[M+H-H2O]+ 323.127480 169.8
[M+HCOO]- 385.128421 188.6
[M+CH3COO]- 399.144071 209.2
[M+Na-2H]- 361.104886 181.1
[M]+ 340.12967142 178.6
[M]- 340.13076858 178.6
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.