CID 71630355

Tert-butyl 4-(((2,4-dichloropyrimidin-5-yl)methoxy)methyl)piperidine-1-carboxylate

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]+ 376.11891 185.1
[M+Na]+ 398.10085 191.7
[M-H]- 374.10435 186.3
[M+NH4]+ 393.14545 194.6
[M+K]+ 414.07479 187.0
[M+H-H2O]+ 358.10889 176.1
[M+HCOO]- 420.10983 188.9
[M+CH3COO]- 434.12548 213.0
[M+Na-2H]- 396.08630 185.7
[M]+ 375.11108 188.4
[M]- 375.11218 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.