CID 72190270

Bms-986120

Structural Information

Molecular Formula
C23H23N5O5S2
SMILES
CC1=C(N=C(S1)N2CCOCC2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC
InChI
InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
InChIKey
MINMDCMSHDBHKG-UHFFFAOYSA-N
Compound name
4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1034
Patents

513.1141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.12138 210.1
[M+Na]+ 536.10332 224.9
[M-H]- 512.10682 224.5
[M+NH4]+ 531.14792 219.3
[M+K]+ 552.07726 223.8
[M+H-H2O]+ 496.11136 208.0
[M+HCOO]- 558.11230 222.1
[M+CH3COO]- 572.12795 221.4
[M+Na-2H]- 534.08877 203.6
[M]+ 513.11355 225.8
[M]- 513.11465 225.8
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.