CID 32778

Glisoxepide

Structural Information

Molecular Formula
C20H27N5O5S
SMILES
CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3
InChI
InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)
InChIKey
ZKUDBRCEOBOWLF-UHFFFAOYSA-N
Compound name
N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

5301
Patents

449.17328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.18056 207.5
[M+Na]+ 472.16250 207.5
[M-H]- 448.16600 215.3
[M+NH4]+ 467.20710 212.2
[M+K]+ 488.13644 210.7
[M+H-H2O]+ 432.17054 196.5
[M+HCOO]- 494.17148 219.9
[M+CH3COO]- 508.18713 230.4
[M+Na-2H]- 470.14795 207.3
[M]+ 449.17273 204.0
[M]- 449.17383 204.0
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

patents stripe