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]+ 355.122326 183.4
[M+Na]+ 377.104268 197.9
[M-H]- 353.107774 188.5
[M+NH4]+ 372.148873 198.4
[M+K]+ 393.078208 191.0
[M+H-H2O]+ 337.112310 174.8
[M+HCOO]- 399.113251 195.8
[M+CH3COO]- 413.128901 194.7
[M+Na-2H]- 375.089716 184.9
[M]+ 354.11450142 189.9
[M]- 354.11559858 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.