CID 54688912

N-[3-[cyclopropyl(4-hydroxy-6-methyl-2-oxo-2h-pyran-3-yl)methyl]phenyl]-1-methyl-1h-imidazole-4-sulfonamide

Structural Information

Molecular Formula
C20H21N3O5S
SMILES
CC1=CC(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O
InChI
InChI=1S/C20H21N3O5S/c1-12-8-16(24)19(20(25)28-12)18(13-6-7-13)14-4-3-5-15(9-14)22-29(26,27)17-10-23(2)11-21-17/h3-5,8-11,13,18,22,24H,6-7H2,1-2H3
InChIKey
JMVUOXLBVAOZCN-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]phenyl]-1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.12018 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12746 192.4
[M+Na]+ 438.10940 202.4
[M-H]- 414.11290 203.5
[M+NH4]+ 433.15400 195.7
[M+K]+ 454.08334 197.0
[M+H-H2O]+ 398.11744 184.7
[M+HCOO]- 460.11838 207.6
[M+CH3COO]- 474.13403 223.6
[M+Na-2H]- 436.09485 192.9
[M]+ 415.11963 199.9
[M]- 415.12073 199.9
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.