CID 53403806

2-methyl-9,10-bis(naphthalen-2-yl)anthracene

Structural Information

Molecular Formula
C35H24
SMILES
CC1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6
InChI
InChI=1S/C35H24/c1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28/h2-22H,1H3
InChIKey
HNWFFTUWRIGBNM-UHFFFAOYSA-N
Compound name
2-methyl-9,10-dinaphthalen-2-ylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8077
Patents

444.1878 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19508 215.6
[M+Na]+ 467.17702 225.3
[M-H]- 443.18052 227.8
[M+NH4]+ 462.22162 226.9
[M+K]+ 483.15096 214.4
[M+H-H2O]+ 427.18506 201.0
[M+HCOO]- 489.18600 233.2
[M+CH3COO]- 503.20165 223.9
[M+Na-2H]- 465.16247 221.7
[M]+ 444.18725 216.4
[M]- 444.18835 216.4
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