CID 15955963

2-[(4,6-ditert-butyl-1,3-benzoxazole-2-carbonyl)amino]acetic acid

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC(C)(C)C1=CC(=C2C(=C1)OC(=N2)C(=O)NCC(=O)O)C(C)(C)C
InChI
InChI=1S/C18H24N2O4/c1-17(2,3)10-7-11(18(4,5)6)14-12(8-10)24-16(20-14)15(23)19-9-13(21)22/h7-8H,9H2,1-6H3,(H,19,23)(H,21,22)
InChIKey
ZEJPATDGYAYMMA-UHFFFAOYSA-N
Compound name
2-[(4,6-ditert-butyl-1,3-benzoxazole-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.4
[M+Na]+ 355.16282 188.2
[M-H]- 331.16632 183.9
[M+NH4]+ 350.20742 194.3
[M+K]+ 371.13676 186.8
[M+H-H2O]+ 315.17086 174.8
[M+HCOO]- 377.17180 197.3
[M+CH3COO]- 391.18745 211.6
[M+Na-2H]- 353.14827 184.3
[M]+ 332.17305 186.0
[M]- 332.17415 186.0
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.