CID 53216818

1402172-49-9

Structural Information

Molecular Formula
C13H21BN2O3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)N3CCOCC3
InChI
InChI=1S/C13H21BN2O3S/c1-12(2)13(3,4)19-14(18-12)10-9-15-11(20-10)16-5-7-17-8-6-16/h9H,5-8H2,1-4H3
InChIKey
ICKDPGSQUZOIIU-UHFFFAOYSA-N
Compound name
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

296.1366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14388 161.3
[M+Na]+ 319.12582 169.7
[M-H]- 295.12932 170.6
[M+NH4]+ 314.17042 178.4
[M+K]+ 335.09976 171.3
[M+H-H2O]+ 279.13386 156.7
[M+HCOO]- 341.13480 172.7
[M+CH3COO]- 355.15045 173.6
[M+Na-2H]- 317.11127 161.7
[M]+ 296.13605 164.1
[M]- 296.13715 164.1
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