CID 371834

Nsc646350

Structural Information

Molecular Formula
C16H25FN2O3
SMILES
CCOC(=O)C(C)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F
InChI
InChI=1S/C16H25FN2O3/c1-3-22-13(20)10(2)18-14(21)19-16-7-11-4-12(8-16)6-15(17,5-11)9-16/h10-12H,3-9H2,1-2H3,(H2,18,19,21)
InChIKey
ZOSXNGVOBGGWPY-UHFFFAOYSA-N
Compound name
ethyl 2-[(3-fluoro-1-adamantyl)carbamoylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1849 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19218 174.1
[M+Na]+ 335.17412 174.0
[M-H]- 311.17762 166.9
[M+NH4]+ 330.21872 196.5
[M+K]+ 351.14806 172.1
[M+H-H2O]+ 295.18216 167.3
[M+HCOO]- 357.18310 178.5
[M+CH3COO]- 371.19875 216.5
[M+Na-2H]- 333.15957 182.1
[M]+ 312.18435 173.7
[M]- 312.18545 173.7
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.