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]+ 333.180876 180.4
[M+Na]+ 355.162818 188.2
[M-H]- 331.166324 183.9
[M+NH4]+ 350.207423 194.3
[M+K]+ 371.136758 186.8
[M+H-H2O]+ 315.170860 174.8
[M+HCOO]- 377.171801 197.3
[M+CH3COO]- 391.187451 211.6
[M+Na-2H]- 353.148266 184.3
[M]+ 332.17305142 186.0
[M]- 332.17414858 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.