CID 2908398

381706-40-7

Structural Information

Molecular Formula
C24H28FN3O5S
SMILES
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)S(=O)(=O)N(C)C)O)C(=O)C1=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H28FN3O5S/c1-26(2)14-5-15-28-21(16-6-10-18(25)11-7-16)20(23(30)24(28)31)22(29)17-8-12-19(13-9-17)34(32,33)27(3)4/h6-13,21,29H,5,14-15H2,1-4H3
InChIKey
RLAHQDJIXHUVKT-UHFFFAOYSA-N
Compound name
4-[[1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.17337 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.18065 215.1
[M+Na]+ 512.16259 222.3
[M+NH4]+ 507.20719 217.7
[M+K]+ 528.13653 218.8
[M-H]- 488.16609 216.3
[M+Na-2H]- 510.14804 218.3
[M]+ 489.17282 216.4
[M]- 489.17392 216.4
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.