CID 145912953

1876767-97-3

Structural Information

Molecular Formula
C14H19ClN4O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN=C(N=C2)Cl
InChI
InChI=1S/C14H19ClN4O3/c1-14(2,3)22-13(21)19-6-4-18(5-7-19)11(20)10-8-16-12(15)17-9-10/h8-9H,4-7H2,1-3H3
InChIKey
WWEFTIAJTRZNOY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chloropyrimidine-5-carbonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11456 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12184 174.6
[M+Na]+ 349.10378 181.1
[M-H]- 325.10728 175.4
[M+NH4]+ 344.14838 183.9
[M+K]+ 365.07772 177.5
[M+H-H2O]+ 309.11182 165.0
[M+HCOO]- 371.11276 182.1
[M+CH3COO]- 385.12841 204.1
[M+Na-2H]- 347.08923 176.7
[M]+ 326.11401 175.0
[M]- 326.11511 175.0
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.