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 178.0
[M+Na]+ 373.13049 187.0
[M-H]- 349.13399 181.2
[M+NH4]+ 368.17509 190.5
[M+K]+ 389.10443 183.0
[M+H-H2O]+ 333.13853 168.6
[M+HCOO]- 395.13947 186.5
[M+CH3COO]- 409.15512 187.3
[M+Na-2H]- 371.11594 180.9
[M]+ 350.14072 179.9
[M]- 350.14182 179.9
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