CID 137935939

2253639-52-8

Structural Information

Molecular Formula
C15H21ClN2O4
SMILES
CCOC(=O)C(CC1=CC(=NC=C1)Cl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H21ClN2O4/c1-5-21-13(19)11(18-14(20)22-15(2,3)4)8-10-6-7-17-12(16)9-10/h6-7,9,11H,5,8H2,1-4H3,(H,18,20)
InChIKey
YVESXAOOUIZDCJ-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chloropyridin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.119 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12628 174.7
[M+Na]+ 351.10822 180.7
[M-H]- 327.11172 176.9
[M+NH4]+ 346.15282 188.2
[M+K]+ 367.08216 178.3
[M+H-H2O]+ 311.11626 168.2
[M+HCOO]- 373.11720 189.5
[M+CH3COO]- 387.13285 208.4
[M+Na-2H]- 349.09367 176.7
[M]+ 328.11845 180.8
[M]- 328.11955 180.8
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.