CID 14291858

3-[benzyl(methyl)amino]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C)(C)OC(=O)NC(CN(C)CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-13(14(19)20)11-18(4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKey
XSBJXBRTDHVKJD-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

308.1736 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 173.5
[M+Na]+ 331.16282 179.8
[M+NH4]+ 326.20742 177.8
[M+K]+ 347.13676 177.5
[M-H]- 307.16632 172.9
[M+Na-2H]- 329.14827 176.2
[M]+ 308.17305 173.7
[M]- 308.17415 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

patents stripe