CID 72210849

1245252-99-6

Structural Information

Molecular Formula
C14H23BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H23BN2O4S/c1-12(2,3)19-11(18)17-10-16-8-9(22-10)15-20-13(4,5)14(6,7)21-15/h8H,1-7H3,(H,16,17,18)
InChIKey
SMHWEXDGXVPRTN-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

326.14716 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15444 170.0
[M+Na]+ 349.13638 178.2
[M-H]- 325.13988 177.5
[M+NH4]+ 344.18098 188.7
[M+K]+ 365.11032 179.4
[M+H-H2O]+ 309.14442 167.2
[M+HCOO]- 371.14536 184.5
[M+CH3COO]- 385.16101 206.2
[M+Na-2H]- 347.12183 172.7
[M]+ 326.14661 177.4
[M]- 326.14771 177.4
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

patents stripe