CID 464125

Schembl549121

Structural Information

Molecular Formula
C18H16N4O2S
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)S(=O)(=O)C4=C3C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C18H16N4O2S/c23-25(24)15-3-1-11(17-19-5-6-20-17)9-13(15)14-10-12(2-4-16(14)25)18-21-7-8-22-18/h1-4,9-10H,5-8H2,(H,19,20)(H,21,22)
InChIKey
CIWJFLKSNBKBAZ-UHFFFAOYSA-N
Compound name
2,8-bis(4,5-dihydro-1H-imidazol-2-yl)dibenzothiophene 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

352.0994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10668 179.7
[M+Na]+ 375.08862 191.5
[M-H]- 351.09212 186.0
[M+NH4]+ 370.13322 196.3
[M+K]+ 391.06256 184.6
[M+H-H2O]+ 335.09666 173.1
[M+HCOO]- 397.09760 191.9
[M+CH3COO]- 411.11325 190.2
[M+Na-2H]- 373.07407 177.8
[M]+ 352.09885 180.5
[M]- 352.09995 180.5
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.