CID 135771884

5,7-di-tert-butyl-2-(1h-indo-3-yl)-benzooxazole

Structural Information

Molecular Formula
C23H26N2O
SMILES
CC(C)(C)C1=CC(=C2C(=C1)N=C(O2)C3=CNC4=CC=CC=C43)C(C)(C)C
InChI
InChI=1S/C23H26N2O/c1-22(2,3)14-11-17(23(4,5)6)20-19(12-14)25-21(26-20)16-13-24-18-10-8-7-9-15(16)18/h7-13,24H,1-6H3
InChIKey
NPDNYDMITNVPMT-UHFFFAOYSA-N
Compound name
5,7-ditert-butyl-2-(1H-indol-3-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.2045 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 189.5
[M+Na]+ 369.19372 200.9
[M-H]- 345.19722 196.7
[M+NH4]+ 364.23832 204.9
[M+K]+ 385.16766 195.4
[M+H-H2O]+ 329.20176 183.0
[M+HCOO]- 391.20270 206.6
[M+CH3COO]- 405.21835 201.0
[M+Na-2H]- 367.17917 193.6
[M]+ 346.20395 195.3
[M]- 346.20505 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.