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 176.5
[M+Na]+ 367.17995 187.3
[M-H]- 343.18345 184.4
[M+NH4]+ 362.22455 194.2
[M+K]+ 383.15389 187.3
[M+H-H2O]+ 327.18799 171.7
[M+HCOO]- 389.18893 193.3
[M+CH3COO]- 403.20458 210.7
[M+Na-2H]- 365.16540 180.5
[M]+ 344.19018 184.7
[M]- 344.19128 184.7
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.