CID 73213585

Fema no. 4802

Structural Information

Molecular Formula
C18H26N4O4S
SMILES
CC(C)CC(=O)N1CCC[C@@H](C1)COC2=CC=CC3=C2C(=NS(=O)(=O)N3)N
InChI
InChI=1S/C18H26N4O4S/c1-12(2)9-16(23)22-8-4-5-13(10-22)11-26-15-7-3-6-14-17(15)18(19)21-27(24,25)20-14/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1
InChIKey
WATMWKUPIIWAGO-ZDUSSCGKSA-N
Compound name
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

394.16748 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17476 189.2
[M+Na]+ 417.15670 198.1
[M+NH4]+ 412.20130 194.9
[M+K]+ 433.13064 190.3
[M-H]- 393.16020 189.7
[M+Na-2H]- 415.14215 192.9
[M]+ 394.16693 190.7
[M]- 394.16803 190.7
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

patents stripe