CID 54691235

2-pyrimidinesulfonamide, n-(3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-furan-3-yl)-methyl)-phenyl)-

Structural Information

Molecular Formula
C24H29N3O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=NC=CC=N4)O)CCC
InChI
InChI=1S/C24H29N3O5S/c1-3-11-24(12-4-2)21(28)20(22(29)32-24)19(16-9-10-16)17-7-5-8-18(15-17)27-33(30,31)23-25-13-6-14-26-23/h5-8,13-16,19,27-28H,3-4,9-12H2,1-2H3
InChIKey
ASCCXYSOTPRSPR-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1828 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.19008 206.4
[M+Na]+ 494.17202 213.5
[M-H]- 470.17552 216.0
[M+NH4]+ 489.21662 209.0
[M+K]+ 510.14596 209.0
[M+H-H2O]+ 454.18006 199.0
[M+HCOO]- 516.18100 218.6
[M+CH3COO]- 530.19665 233.1
[M+Na-2H]- 492.15747 206.8
[M]+ 471.18225 214.0
[M]- 471.18335 214.0
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.