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

literature stripe

Patent stripe

patents stripe