CID 3713514

2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H18ClN3O3S
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCl
InChI
InChI=1S/C14H18ClN3O3S/c1-2-18-13-4-3-11(9-12(13)16-14(18)10-15)22(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,10H2,1H3
InChIKey
NYHTVVUCHJDWKV-UHFFFAOYSA-N
Compound name
4-[2-(chloromethyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

343.07574 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.08302 176.9
[M+Na]+ 366.06496 187.3
[M-H]- 342.06846 181.6
[M+NH4]+ 361.10956 189.5
[M+K]+ 382.03890 182.9
[M+H-H2O]+ 326.07300 169.5
[M+HCOO]- 388.07394 184.0
[M+CH3COO]- 402.08959 187.5
[M+Na-2H]- 364.05041 179.0
[M]+ 343.07519 182.5
[M]- 343.07629 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.