CID 57416440

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h,2h,3h-pyrrolo[2,3-b]pyridin-2-one

Structural Information

Molecular Formula
C13H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NC(=O)C3)N=C2
InChI
InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)9-5-8-6-10(17)16-11(8)15-7-9/h5,7H,6H2,1-4H3,(H,15,16,17)
InChIKey
SQTORENJRGJAKX-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

260.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14048 154.3
[M+Na]+ 283.12242 164.8
[M-H]- 259.12592 160.2
[M+NH4]+ 278.16702 174.3
[M+K]+ 299.09636 163.4
[M+H-H2O]+ 243.13046 149.3
[M+HCOO]- 305.13140 170.8
[M+CH3COO]- 319.14705 167.4
[M+Na-2H]- 281.10787 157.9
[M]+ 260.13265 156.0
[M]- 260.13375 156.0
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

patents stripe