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

13
Patents

376.1628 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.170076 184.3
[M+Na]+ 399.152018 194.3
[M-H]- 375.155524 193.2
[M+NH4]+ 394.196623 202.4
[M+K]+ 415.125958 194.1
[M+H-H2O]+ 359.160060 180.9
[M+HCOO]- 421.161001 198.8
[M+CH3COO]- 435.176651 216.5
[M+Na-2H]- 397.137466 187.8
[M]+ 376.16225142 194.0
[M]- 376.16334858 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