CID 365118

Nsc632181

Structural Information

Molecular Formula
C29H18OS
SMILES
C1=CC=C2C(=C1)C(=CC=C3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6C2=O
InChI
InChI=1S/C29H18OS/c30-29-25-13-3-1-9-19(25)21(20-10-2-4-14-26(20)29)17-18-22-23-11-5-7-15-27(23)31-28-16-8-6-12-24(22)28/h1-18H
InChIKey
YSNYFVUTJLLIRL-UHFFFAOYSA-N
Compound name
10-(2-thioxanthen-9-ylideneethylidene)anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.10785 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11513 196.2
[M+Na]+ 437.09707 204.5
[M-H]- 413.10057 204.8
[M+NH4]+ 432.14167 210.2
[M+K]+ 453.07101 194.4
[M+H-H2O]+ 397.10511 185.5
[M+HCOO]- 459.10605 206.9
[M+CH3COO]- 473.12170 204.7
[M+Na-2H]- 435.08252 200.6
[M]+ 414.10730 195.0
[M]- 414.10840 195.0
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.