CID 9862937

Fabomotizole

Structural Information

Molecular Formula
C15H21N3O2S
SMILES
CCOC1=CC2=C(C=C1)N=C(N2)SCCN3CCOCC3
InChI
InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)
InChIKey
WWNUCVSRRUDYPP-UHFFFAOYSA-N
Compound name
4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

137
References

409
Patents

307.13544 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14272 168.8
[M+Na]+ 330.12466 176.5
[M-H]- 306.12816 171.4
[M+NH4]+ 325.16926 181.3
[M+K]+ 346.09860 172.4
[M+H-H2O]+ 290.13270 160.5
[M+HCOO]- 352.13364 180.2
[M+CH3COO]- 366.14929 178.7
[M+Na-2H]- 328.11011 170.5
[M]+ 307.13489 171.3
[M]- 307.13599 171.3
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