CID 75176100

1432896-19-9

Structural Information

Molecular Formula
C15H20Cl2N4O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=C2Cl)C(=O)OC)Cl
InChI
InChI=1S/C15H20Cl2N4O4/c1-15(2,3)25-14(23)21-7-5-20(6-8-21)11-9(16)10(12(22)24-4)18-13(17)19-11/h5-8H2,1-4H3
InChIKey
NLPKBGWQIBTKEO-UHFFFAOYSA-N
Compound name
methyl 2,5-dichloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.08615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09343 184.8
[M+Na]+ 413.07537 196.7
[M+NH4]+ 408.11997 188.8
[M+K]+ 429.04931 192.6
[M-H]- 389.07887 183.6
[M+Na-2H]- 411.06082 188.3
[M]+ 390.08560 186.4
[M]- 390.08670 186.4
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.