CID 66520890

1344124-61-3

Structural Information

Molecular Formula
C18H30BN3O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)N3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BN3O4S/c1-16(2,3)24-15(23)22-10-8-21(9-11-22)14-20-12-13(27-14)19-25-17(4,5)18(6,7)26-19/h12H,8-11H2,1-7H3
InChIKey
HHMJUYNPEVILJL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

395.20502 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21230 188.3
[M+Na]+ 418.19424 195.2
[M-H]- 394.19774 195.6
[M+NH4]+ 413.23884 201.6
[M+K]+ 434.16818 196.1
[M+H-H2O]+ 378.20228 183.4
[M+HCOO]- 440.20322 195.5
[M+CH3COO]- 454.21887 216.7
[M+Na-2H]- 416.17969 186.2
[M]+ 395.20447 192.7
[M]- 395.20557 192.7
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