CID 21896096

2-tert-butyl-9,10-di(naphth-2-yl)anthracene

Structural Information

Molecular Formula
C38H30
SMILES
CC(C)(C)C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6
InChI
InChI=1S/C38H30/c1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29/h4-24H,1-3H3
InChIKey
OBAJPWYDYFEBTF-UHFFFAOYSA-N
Compound name
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24744
Patents

486.23474 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.24202 230.6
[M+Na]+ 509.22396 239.2
[M-H]- 485.22746 242.5
[M+NH4]+ 504.26856 240.3
[M+K]+ 525.19790 228.7
[M+H-H2O]+ 469.23200 215.8
[M+HCOO]- 531.23294 245.4
[M+CH3COO]- 545.24859 237.7
[M+Na-2H]- 507.20941 235.8
[M]+ 486.23419 231.7
[M]- 486.23529 231.7
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