CID 132343814

2565843-51-6

Structural Information

Molecular Formula
C20H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=C3)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H28BNO4/c1-13-11-14-12-15(21-25-19(5,6)20(7,8)26-21)9-10-16(14)22(13)17(23)24-18(2,3)4/h9-12H,1-8H3
InChIKey
UUTLDZCKRIDXNB-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

357.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21843 180.2
[M+Na]+ 380.20037 191.0
[M-H]- 356.20387 189.4
[M+NH4]+ 375.24497 199.0
[M+K]+ 396.17431 190.7
[M+H-H2O]+ 340.20841 176.5
[M+HCOO]- 402.20935 197.6
[M+CH3COO]- 416.22500 215.1
[M+Na-2H]- 378.18582 183.0
[M]+ 357.21060 189.0
[M]- 357.21170 189.0
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