CID 3087595

2h-1,2,5-thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-(3-(4-morpholinyl)propyl)-, 1,1-dioxide

Structural Information

Molecular Formula
C16H22N4O3S
SMILES
C1CN2C3=CC=CC=C3N=C2S(=O)(=O)N1CCCN4CCOCC4
InChI
InChI=1S/C16H22N4O3S/c21-24(22)16-17-14-4-1-2-5-15(14)20(16)9-8-19(24)7-3-6-18-10-12-23-13-11-18/h1-2,4-5H,3,6-13H2
InChIKey
BHPAUHULDHLAQL-UHFFFAOYSA-N
Compound name
2-(3-morpholin-4-ylpropyl)-3,4-dihydro-[1,2,5]thiadiazino[5,6-a]benzimidazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.14127 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14855 179.5
[M+Na]+ 373.13049 192.2
[M+NH4]+ 368.17509 187.8
[M+K]+ 389.10443 183.6
[M-H]- 349.13399 182.4
[M+Na-2H]- 371.11594 184.2
[M]+ 350.14072 182.6
[M]- 350.14182 182.6
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