CID 9828551

Sar-114137

Structural Information

Molecular Formula
C25H34N4O7S
SMILES
CC[C@@H](C(=O)C1=NOC(=N1)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC(C)C
InChI
InChI=1S/C25H34N4O7S/c1-4-20(22(31)23-27-25(36-28-23)18-8-6-5-7-9-18)26-24(32)19(16-37(33,34)15-17(2)3)14-21(30)29-10-12-35-13-11-29/h5-9,17,19-20H,4,10-16H2,1-3H3,(H,26,32)/t19?,20-/m0/s1
InChIKey
IUMMRYVGHFJSRD-ANYOKISRSA-N
Compound name
2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

534.21484 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.22212 216.0
[M+Na]+ 557.20406 220.5
[M+NH4]+ 552.24866 216.0
[M+K]+ 573.17800 221.3
[M-H]- 533.20756 217.1
[M+Na-2H]- 555.18951 216.9
[M]+ 534.21429 216.6
[M]- 534.21539 216.6
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

patents stripe