CID 135465456

5,7-ditert-butyl-2-(3-methyl-1h-indol-2-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C24H28N2O
SMILES
CC1=C(NC2=CC=CC=C12)C3=NC4=CC(=CC(=C4O3)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C24H28N2O/c1-14-16-10-8-9-11-18(16)25-20(14)22-26-19-13-15(23(2,3)4)12-17(21(19)27-22)24(5,6)7/h8-13,25H,1-7H3
InChIKey
BIALWNKARPWRAC-UHFFFAOYSA-N
Compound name
5,7-ditert-butyl-2-(3-methyl-1H-indol-2-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.22015 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22743 194.5
[M+Na]+ 383.20937 206.2
[M-H]- 359.21287 201.9
[M+NH4]+ 378.25397 209.5
[M+K]+ 399.18331 200.6
[M+H-H2O]+ 343.21741 188.0
[M+HCOO]- 405.21835 211.1
[M+CH3COO]- 419.23400 205.9
[M+Na-2H]- 381.19482 197.4
[M]+ 360.21960 201.0
[M]- 360.22070 201.0
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.