CID 15956035

Schembl1691537

Structural Information

Molecular Formula
C17H18BrN3OS
SMILES
C1CCC(CC1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)CO
InChI
InChI=1S/C17H18BrN3OS/c18-13-8-6-11(7-9-13)15-14(10-22)21-17(19-15)23-16(20-21)12-4-2-1-3-5-12/h6-9,12,22H,1-5,10H2
InChIKey
YDNDGZVNTSUBKB-UHFFFAOYSA-N
Compound name
[6-(4-bromophenyl)-2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

391.0354 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04268 176.5
[M+Na]+ 414.02462 189.6
[M-H]- 390.02812 185.8
[M+NH4]+ 409.06922 193.3
[M+K]+ 429.99856 176.9
[M+H-H2O]+ 374.03266 176.5
[M+HCOO]- 436.03360 188.9
[M+CH3COO]- 450.04925 189.3
[M+Na-2H]- 412.01007 176.6
[M]+ 391.03485 196.2
[M]- 391.03595 196.2
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