CID 7479999

2-(4-morpholinylmethyl)-1,2-benzisothiazol-3(2h)-one

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
C1COCCN1CN2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2O2S/c15-12-10-3-1-2-4-11(10)17-14(12)9-13-5-7-16-8-6-13/h1-4H,5-9H2
InChIKey
BYDCJQINJGGKLU-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

250.0776 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.084876 151.7
[M+Na]+ 273.066818 161.5
[M-H]- 249.070324 157.7
[M+NH4]+ 268.111423 168.6
[M+K]+ 289.040758 158.5
[M+H-H2O]+ 233.074860 144.5
[M+HCOO]- 295.075801 167.0
[M+CH3COO]- 309.091451 164.4
[M+Na-2H]- 271.052266 155.3
[M]+ 250.07705142 153.9
[M]- 250.07814858 153.9
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