CID 325326

59888-49-2

Structural Information

Molecular Formula
C15H16N2O2S2
SMILES
CC1(C2=CC=CC=C2N3C14C(=O)N(C(C3=O)(SS4)C)C)C
InChI
InChI=1S/C15H16N2O2S2/c1-13(2)9-7-5-6-8-10(9)17-11(18)14(3)16(4)12(19)15(13,17)21-20-14/h5-8H,1-4H3
InChIKey
RMFWVAHDWWKNMY-UHFFFAOYSA-N
Compound name
2,2,11,15-tetramethyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5,7-triene-10,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0653 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07258 163.1
[M+Na]+ 343.05452 172.8
[M-H]- 319.05802 160.1
[M+NH4]+ 338.09912 188.6
[M+K]+ 359.02846 168.8
[M+H-H2O]+ 303.06256 158.1
[M+HCOO]- 365.06350 162.5
[M+CH3COO]- 379.07915 172.7
[M+Na-2H]- 341.03997 172.9
[M]+ 320.06475 171.9
[M]- 320.06585 171.9
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.