CID 2913771

Cambridge id 6782555

Structural Information

Molecular Formula
C22H26N4O5S
SMILES
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)S(=O)(=O)N(C)C)O)C(=O)C1=O)C3=CN=CC=C3
InChI
InChI=1S/C22H26N4O5S/c1-24(2)12-13-26-19(16-6-5-11-23-14-16)18(21(28)22(26)29)20(27)15-7-9-17(10-8-15)32(30,31)25(3)4/h5-11,14,19,27H,12-13H2,1-4H3
InChIKey
ZRVSQKKAQLWKNG-UHFFFAOYSA-N
Compound name
4-[[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

458.16238 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.16966 205.2
[M+Na]+ 481.15160 213.3
[M+NH4]+ 476.19620 208.2
[M+K]+ 497.12554 210.5
[M-H]- 457.15510 207.3
[M+Na-2H]- 479.13705 209.6
[M]+ 458.16183 206.9
[M]- 458.16293 206.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.