CID 292429

2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene

Structural Information

Molecular Formula
C26H26N2O2S
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C
InChI
InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
InChIKey
AIXZBGVLNVRQSS-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

6464
Patents

430.1715 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.178776 208.9
[M+Na]+ 453.160718 222.4
[M-H]- 429.164224 222.7
[M+NH4]+ 448.205323 223.0
[M+K]+ 469.134658 219.4
[M+H-H2O]+ 413.168760 204.8
[M+HCOO]- 475.169701 224.1
[M+CH3COO]- 489.185351 221.1
[M+Na-2H]- 451.146166 208.5
[M]+ 430.17095142 221.0
[M]- 430.17204858 221.0
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

patents stripe