CID 108320

Acetaldehyde, 2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2h-indol-2-ylidene)-

Structural Information

Molecular Formula
C20H21NO3S
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(C1=CC=O)(C)C
InChI
InChI=1S/C20H21NO3S/c1-4-21-18-11-10-16(25(23,24)15-8-6-5-7-9-15)14-17(18)20(2,3)19(21)12-13-22/h5-14H,4H2,1-3H3
InChIKey
LJIRAJMFCLSDGJ-UHFFFAOYSA-N
Compound name
2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1242 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13148 184.3
[M+Na]+ 378.11342 194.6
[M-H]- 354.11692 191.2
[M+NH4]+ 373.15802 201.7
[M+K]+ 394.08736 188.6
[M+H-H2O]+ 338.12146 177.9
[M+HCOO]- 400.12240 199.3
[M+CH3COO]- 414.13805 211.0
[M+Na-2H]- 376.09887 185.9
[M]+ 355.12365 189.5
[M]- 355.12475 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

patents stripe