CID 53217206

1256359-94-0

Structural Information

Molecular Formula
C19H25BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C(=CC=C3)Cl)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H25BClNO4/c1-17(2,3)24-16(23)22-11-12(15-13(21)9-8-10-14(15)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
InChIKey
KFBYQSLSUBWFNK-UHFFFAOYSA-N
Compound name
tert-butyl 4-chloro-3-(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

0
Patents

377.15652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16380 183.6
[M+Na]+ 400.14574 195.5
[M-H]- 376.14924 192.9
[M+NH4]+ 395.19034 202.4
[M+K]+ 416.11968 193.7
[M+H-H2O]+ 360.15378 180.3
[M+HCOO]- 422.15472 196.7
[M+CH3COO]- 436.17037 215.7
[M+Na-2H]- 398.13119 186.3
[M]+ 377.15597 194.0
[M]- 377.15707 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

No patent data available for this compound.