CID 135446975

N'-[3-(7-cyanomethoxy-1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinolin-6-yl]-n,n-dimethylformamidine

Structural Information

Molecular Formula
C26H28N6O5S
SMILES
CC(C)CCN1C2=C(C=C(C=C2)N=CN(C)C)C(=C(C1=O)C3=NS(=O)(=O)C4=C(N3)C=CC(=C4)OCC#N)O
InChI
InChI=1S/C26H28N6O5S/c1-16(2)9-11-32-21-8-5-17(28-15-31(3)4)13-19(21)24(33)23(26(32)34)25-29-20-7-6-18(37-12-10-27)14-22(20)38(35,36)30-25/h5-8,13-16,33H,9,11-12H2,1-4H3,(H,29,30)
InChIKey
QIUIOMJHITXAGA-UHFFFAOYSA-N
Compound name
N'-[3-[7-(cyanomethoxy)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxoquinolin-6-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.1842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.19148 230.2
[M+Na]+ 559.17342 239.4
[M-H]- 535.17692 232.2
[M+NH4]+ 554.21802 234.0
[M+K]+ 575.14736 232.2
[M+H-H2O]+ 519.18146 213.4
[M+HCOO]- 581.18240 237.0
[M+CH3COO]- 595.19805 259.3
[M+Na-2H]- 557.15887 230.8
[M]+ 536.18365 231.3
[M]- 536.18475 231.3
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.