CID 30348

20884-96-2

Structural Information

Molecular Formula
C20H23NO4S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CCN2C)OCO4
InChI
InChI=1S/C20H23NO4S/c1-13(2)26(22,23)16-6-4-14(5-7-16)20-17-11-19-18(24-12-25-19)10-15(17)8-9-21(20)3/h4-7,10-11,13,20H,8-9,12H2,1-3H3
InChIKey
ZAMFFFIETMRJNB-UHFFFAOYSA-N
Compound name
6-methyl-5-(4-propan-2-ylsulfonylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.13477 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14205 186.3
[M+Na]+ 396.12399 194.3
[M-H]- 372.12749 194.7
[M+NH4]+ 391.16859 199.0
[M+K]+ 412.09793 192.4
[M+H-H2O]+ 356.13203 180.0
[M+HCOO]- 418.13297 195.6
[M+CH3COO]- 432.14862 196.6
[M+Na-2H]- 394.10944 188.0
[M]+ 373.13422 190.6
[M]- 373.13532 190.6
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.