CID 71630355

1420844-25-2

Structural Information

Molecular Formula
C16H23Cl2N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COCC2=CN=C(N=C2Cl)Cl
InChI
InChI=1S/C16H23Cl2N3O3/c1-16(2,3)24-15(22)21-6-4-11(5-7-21)9-23-10-12-8-19-14(18)20-13(12)17/h8,11H,4-7,9-10H2,1-3H3
InChIKey
WWKNINFIGVRRIU-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2,4-dichloropyrimidin-5-yl)methoxymethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11163 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.118906 185.1
[M+Na]+ 398.100848 191.7
[M-H]- 374.104354 186.3
[M+NH4]+ 393.145453 194.6
[M+K]+ 414.074788 187.0
[M+H-H2O]+ 358.108890 176.1
[M+HCOO]- 420.109831 188.9
[M+CH3COO]- 434.125481 213.0
[M+Na-2H]- 396.086296 185.7
[M]+ 375.11108142 188.4
[M]- 375.11217858 188.4
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.