CID 68202

517-45-3

Structural Information

Molecular Formula
C26H16O2
SMILES
C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6O2
InChI
InChI=1S/C26H16O2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKey
SXXWAWNPJCEOGD-UHFFFAOYSA-N
Compound name
9-xanthen-9-ylidenexanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

285
Patents

360.11502 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12230 182.7
[M+Na]+ 383.10424 191.1
[M-H]- 359.10774 193.2
[M+NH4]+ 378.14884 195.5
[M+K]+ 399.07818 185.5
[M+H-H2O]+ 343.11228 171.1
[M+HCOO]- 405.11322 196.8
[M+CH3COO]- 419.12887 192.7
[M+Na-2H]- 381.08969 191.1
[M]+ 360.11447 181.4
[M]- 360.11557 181.4
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