CID 170881727

2-{[(tert-butoxy)carbonyl]amino}-3-{imidazo[1,2-a]pyridin-3-yl}propanoic acid

Structural Information

Molecular Formula
C15H19N3O4
SMILES
CC(C)(C)OC(=O)NC(CC1=CN=C2N1C=CC=C2)C(=O)O
InChI
InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)17-11(13(19)20)8-10-9-16-12-6-4-5-7-18(10)12/h4-7,9,11H,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKey
MTTBOOZCRBOHBJ-UHFFFAOYSA-N
Compound name
3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.144816 170.9
[M+Na]+ 328.126758 177.3
[M-H]- 304.130264 171.9
[M+NH4]+ 323.171363 184.9
[M+K]+ 344.100698 175.5
[M+H-H2O]+ 288.134800 163.6
[M+HCOO]- 350.135741 189.1
[M+CH3COO]- 364.151391 203.0
[M+Na-2H]- 326.112206 174.7
[M]+ 305.13699142 174.4
[M]- 305.13808858 174.4
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.