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 183.4
[M+Na]+ 377.10427 197.9
[M-H]- 353.10777 188.5
[M+NH4]+ 372.14887 198.4
[M+K]+ 393.07821 191.0
[M+H-H2O]+ 337.11231 174.8
[M+HCOO]- 399.11325 195.8
[M+CH3COO]- 413.12890 194.7
[M+Na-2H]- 375.08972 184.9
[M]+ 354.11450 189.9
[M]- 354.11560 189.9
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.