CID 135394257

Tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate

Structural Information

Molecular Formula
C18H25BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2C(=O)OC(C)(C)C)N=CC=C3
InChI
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-13(11-12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChIKey
KXCVPYSZIWEBET-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19801 175.0
[M+Na]+ 367.17995 186.4
[M+NH4]+ 362.22455 183.7
[M+K]+ 383.15389 183.2
[M-H]- 343.18345 178.2
[M+Na-2H]- 365.16540 180.8
[M]+ 344.19018 177.9
[M]- 344.19128 177.9
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.