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]+ 341.13750 178.9
[M+Na]+ 363.11944 184.1
[M-H]- 339.12294 180.9
[M+NH4]+ 358.16404 188.7
[M+K]+ 379.09338 180.6
[M+H-H2O]+ 323.12748 169.8
[M+HCOO]- 385.12842 188.6
[M+CH3COO]- 399.14407 209.2
[M+Na-2H]- 361.10489 181.1
[M]+ 340.12967 178.6
[M]- 340.13077 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.