CID 39629

50332-27-9

Structural Information

Molecular Formula
C18H15NO3S
SMILES
C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=CS5)OCO4
InChI
InChI=1S/C18H15NO3S/c20-18(17-6-3-7-23-17)19-13-5-2-1-4-11(13)12-8-15-16(9-14(12)19)22-10-21-15/h3,6-9H,1-2,4-5,10H2
InChIKey
YZVRSLDSWQBCBD-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl(thiophen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.07727 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08455 171.7
[M+Na]+ 348.06649 182.3
[M-H]- 324.06999 182.6
[M+NH4]+ 343.11109 191.4
[M+K]+ 364.04043 180.7
[M+H-H2O]+ 308.07453 168.9
[M+HCOO]- 370.07547 186.4
[M+CH3COO]- 384.09112 184.7
[M+Na-2H]- 346.05194 171.2
[M]+ 325.07672 177.4
[M]- 325.07782 177.4
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.