CID 13167710

93361-77-4

Structural Information

Molecular Formula
C24H29NOS
SMILES
CC(C)(C)C1(CCN2CC3CC4=CC=CC=C4SC5=CC=CC(=C35)C2C1)O
InChI
InChI=1S/C24H29NOS/c1-23(2,3)24(26)11-12-25-15-17-13-16-7-4-5-9-20(16)27-21-10-6-8-18(22(17)21)19(25)14-24/h4-10,17,19,26H,11-15H2,1-3H3
InChIKey
SWJPLIUFYOVGAM-UHFFFAOYSA-N
Compound name
6-tert-butyl-14-thia-3-azapentacyclo[11.8.1.03,8.09,22.015,20]docosa-9(22),10,12,15,17,19-hexaen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.197 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20428 193.8
[M+Na]+ 402.18622 198.6
[M-H]- 378.18972 196.8
[M+NH4]+ 397.23082 209.5
[M+K]+ 418.16016 195.0
[M+H-H2O]+ 362.19426 187.3
[M+HCOO]- 424.19520 196.4
[M+CH3COO]- 438.21085 200.6
[M+Na-2H]- 400.17167 197.9
[M]+ 379.19645 189.5
[M]- 379.19755 189.5
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.