CID 54691230

1h-imidazole-4-sulfonamide, n-[3-{(4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-1-methyl

Structural Information

Molecular Formula
C27H31N3O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2=CC=CC=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O)CCC
InChI
InChI=1S/C27H31N3O5S/c1-4-14-27(15-5-2)25(31)24(26(32)35-27)23(19-10-7-6-8-11-19)20-12-9-13-21(16-20)29-36(33,34)22-17-30(3)18-28-22/h6-13,16-18,23,29,31H,4-5,14-15H2,1-3H3
InChIKey
SNUZPXQXAVZZJL-UHFFFAOYSA-N
Compound name
N-[3-[(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)-phenylmethyl]phenyl]-1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.19846 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.20574 221.3
[M+Na]+ 532.18768 227.7
[M-H]- 508.19118 232.0
[M+NH4]+ 527.23228 228.7
[M+K]+ 548.16162 223.6
[M+H-H2O]+ 492.19572 213.4
[M+HCOO]- 554.19666 234.5
[M+CH3COO]- 568.21231 239.3
[M+Na-2H]- 530.17313 218.9
[M]+ 509.19791 227.7
[M]- 509.19901 227.7
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.