CID 21014463

284660-89-5

Structural Information

Molecular Formula
C16H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=C3)C(=O)OC
InChI
InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)11-6-7-12-10(8-11)9-13(18-12)14(19)20-5/h6-9,18H,1-5H3
InChIKey
WTDMZZXKGOYEEN-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

301.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15581 164.6
[M+Na]+ 324.13775 175.4
[M-H]- 300.14125 172.4
[M+NH4]+ 319.18235 184.4
[M+K]+ 340.11169 174.3
[M+H-H2O]+ 284.14579 160.3
[M+HCOO]- 346.14673 183.4
[M+CH3COO]- 360.16238 200.6
[M+Na-2H]- 322.12320 168.1
[M]+ 301.14798 170.5
[M]- 301.14908 170.5
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