CID 60320856

1389045-70-8

Structural Information

Molecular Formula
C12H14Cl2N2O3
SMILES
CC(C)(C)OC(=O)CNC(=O)C1=CC(=C(N=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl2N2O3/c1-12(2,3)19-9(17)6-16-11(18)7-4-8(13)10(14)15-5-7/h4-5H,6H2,1-3H3,(H,16,18)
InChIKey
OBLWEGQRFJZXBQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(5,6-dichloropyridine-3-carbonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.03815 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04543 163.6
[M+Na]+ 327.02737 172.3
[M-H]- 303.03087 165.8
[M+NH4]+ 322.07197 178.8
[M+K]+ 343.00131 168.1
[M+H-H2O]+ 287.03541 158.5
[M+HCOO]- 349.03635 174.9
[M+CH3COO]- 363.05200 202.8
[M+Na-2H]- 325.01282 166.6
[M]+ 304.03760 169.2
[M]- 304.03870 169.2
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.