CID 75176101

1432892-68-6

Structural Information

Molecular Formula
C11H14Cl2N4O4
SMILES
CC(C)(C)OC(=O)NNC1=NC(=NC(=C1Cl)C(=O)OC)Cl
InChI
InChI=1S/C11H14Cl2N4O4/c1-11(2,3)21-10(19)17-16-7-5(12)6(8(18)20-4)14-9(13)15-7/h1-4H3,(H,17,19)(H,14,15,16)
InChIKey
IUAGEFHVZUXSQS-UHFFFAOYSA-N
Compound name
methyl 2,5-dichloro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0392 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04648 170.9
[M+Na]+ 359.02842 180.9
[M+NH4]+ 354.07302 175.1
[M+K]+ 375.00236 177.6
[M-H]- 335.03192 169.4
[M+Na-2H]- 357.01387 174.1
[M]+ 336.03865 172.0
[M]- 336.03975 172.0
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.