CID 155978126

En300-27721793

Structural Information

Molecular Formula
C19H25BN2O6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H25BN2O6/c1-17(2,3)26-16(23)21-14-9-8-13(22(24)25)10-12(14)11-15(21)20-27-18(4,5)19(6,7)28-20/h8-11H,1-7H3
InChIKey
JNTBSPPUJLDEKJ-UHFFFAOYSA-N
Compound name
tert-butyl 5-nitro-2-(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

388.18057 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18785 185.8
[M+Na]+ 411.16979 194.4
[M-H]- 387.17329 194.9
[M+NH4]+ 406.21439 201.8
[M+K]+ 427.14373 190.9
[M+H-H2O]+ 371.17783 186.5
[M+HCOO]- 433.17877 204.2
[M+CH3COO]- 447.19442 213.5
[M+Na-2H]- 409.15524 192.7
[M]+ 388.18002 192.5
[M]- 388.18112 192.5
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

No patent data available for this compound.