CID 3060104

77711-88-7

Structural Information

Molecular Formula
C22H24N2O3S
SMILES
CCOC(=O)C1=C(C(=O)N(C1)C(C)C)NC2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C22H24N2O3S/c1-4-27-22(26)19-14-24(15(2)3)21(25)20(19)23-16-10-12-18(13-11-16)28-17-8-6-5-7-9-17/h5-13,15,23H,4,14H2,1-3H3
InChIKey
MWVOGGOTSMCWDD-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-4-(4-phenylsulfanylanilino)-1-propan-2-yl-2H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.15076 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15804 195.5
[M+Na]+ 419.13998 207.0
[M+NH4]+ 414.18458 202.0
[M+K]+ 435.11392 200.0
[M-H]- 395.14348 200.4
[M+Na-2H]- 417.12543 202.1
[M]+ 396.15021 198.8
[M]- 396.15131 198.8
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.