CID 15955961

5,7-ditert-butyl-2-isopropyl-2,3-dihydro-1,3-benzoxazole

Structural Information

Molecular Formula
C18H29NO
SMILES
CC(C)C1NC2=CC(=CC(=C2O1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C18H29NO/c1-11(2)16-19-14-10-12(17(3,4)5)9-13(15(14)20-16)18(6,7)8/h9-11,16,19H,1-8H3
InChIKey
FVUOZDGCOPSWSM-UHFFFAOYSA-N
Compound name
5,7-ditert-butyl-2-propan-2-yl-2,3-dihydro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 170.8
[M+Na]+ 298.21412 177.9
[M-H]- 274.21762 173.4
[M+NH4]+ 293.25872 187.7
[M+K]+ 314.18806 175.5
[M+H-H2O]+ 258.22216 166.0
[M+HCOO]- 320.22310 183.9
[M+CH3COO]- 334.23875 202.1
[M+Na-2H]- 296.19957 172.9
[M]+ 275.22435 172.2
[M]- 275.22545 172.2
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.