CID 1083207

606958-72-9

Structural Information

Molecular Formula
C20H15ClN4O3S
SMILES
C=CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H15ClN4O3S/c1-2-10-25-18(22)16(29(27,28)14-8-6-13(21)7-9-14)12-15-19(25)23-17-5-3-4-11-24(17)20(15)26/h2-9,11-12,22H,1,10H2
InChIKey
SXJICZVYRWWMIV-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

426.05533 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.06261 197.7
[M+Na]+ 449.04455 215.9
[M+NH4]+ 444.08915 204.0
[M+K]+ 465.01849 205.0
[M-H]- 425.04805 201.3
[M+Na-2H]- 447.03000 205.9
[M]+ 426.05478 202.2
[M]- 426.05588 202.2
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

No patent data available for this compound.