CID 3074819

Pyrazolo(4,3-c)pyrido(3,2-e)(1,2)thiazine, 2,4-dihydro-3-phenyl-2,4,7,9-tetramethyl-, 5,5-dioxide

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CC1=CC(=NC2=C1C3=NN(C(=C3N(S2(=O)=O)C)C4=CC=CC=C4)C)C
InChI
InChI=1S/C18H18N4O2S/c1-11-10-12(2)19-18-14(11)15-17(22(4)25(18,23)24)16(21(3)20-15)13-8-6-5-7-9-13/h5-10H,1-4H3
InChIKey
RJTRMKKCEFLPQH-UHFFFAOYSA-N
Compound name
4,7,11,13-tetramethyl-5-phenyl-8lambda6-thia-3,4,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene 8,8-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 184.1
[M+Na]+ 377.10427 200.7
[M+NH4]+ 372.14887 193.0
[M+K]+ 393.07821 190.8
[M-H]- 353.10777 187.2
[M+Na-2H]- 375.08972 190.9
[M]+ 354.11450 188.2
[M]- 354.11560 188.2
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.