CID 16339809

920941-31-7

Structural Information

Molecular Formula
C23H24N6O2S
SMILES
CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=CC=C4C)N5CCOCC5
InChI
InChI=1S/C23H24N6O2S/c1-16-6-5-8-18(14-16)29-22(28-10-12-30-13-11-28)25-26-23(29)32-15-20-24-21(27-31-20)19-9-4-3-7-17(19)2/h3-9,14H,10-13,15H2,1-2H3
InChIKey
BKKOPIOQVNLSPI-UHFFFAOYSA-N
Compound name
4-[4-(3-methylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16815 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17543 202.3
[M+Na]+ 471.15737 219.4
[M+NH4]+ 466.20197 208.2
[M+K]+ 487.13131 214.0
[M-H]- 447.16087 211.6
[M+Na-2H]- 469.14282 211.6
[M]+ 448.16760 208.0
[M]- 448.16870 208.0
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.