CID 221040

203-42-9

Structural Information

Molecular Formula
C24H12S
SMILES
C1=CC2=C3C(=C1)C4=C(C3=CC=C2)SC5=C4C6=CC=CC7=C6C5=CC=C7
InChI
InChI=1S/C24H12S/c1-5-13-7-3-11-17-19(13)15(9-1)21-22-16-10-2-6-14-8-4-12-18(20(14)16)24(22)25-23(17)21/h1-12H
InChIKey
RSYZJSLQEJIVSN-UHFFFAOYSA-N
Compound name
14-thiaheptacyclo[14.7.1.14,8.02,15.03,13.020,24.012,25]pentacosa-1(23),2(15),3(13),4,6,8(25),9,11,16,18,20(24),21-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.06598 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07326 171.3
[M+Na]+ 355.05520 191.6
[M+NH4]+ 350.09980 185.9
[M+K]+ 371.02914 182.4
[M-H]- 331.05870 178.7
[M+Na-2H]- 353.04065 178.4
[M]+ 332.06543 177.6
[M]- 332.06653 177.6
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