CID 166140047

2750285-83-5

Structural Information

Molecular Formula
C18H25BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)SC(=N3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H25BN2O4S/c1-16(2,3)23-15(22)21-14-20-13-11(9-8-10-12(13)26-14)19-24-17(4,5)18(6,7)25-19/h8-10H,1-7H3,(H,20,21,22)
InChIKey
HHKLUWKSZYZOGG-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

376.1628 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17008 184.3
[M+Na]+ 399.15202 194.3
[M-H]- 375.15552 193.2
[M+NH4]+ 394.19662 202.4
[M+K]+ 415.12596 194.1
[M+H-H2O]+ 359.16006 180.9
[M+HCOO]- 421.16100 198.8
[M+CH3COO]- 435.17665 216.5
[M+Na-2H]- 397.13747 187.8
[M]+ 376.16225 194.0
[M]- 376.16335 194.0
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