CID 56973268

1310705-10-2

Structural Information

Molecular Formula
C15H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CN=C(C=C23)OC)C
InChI
InChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)11-9-18(5)12-8-17-13(19-6)7-10(11)12/h7-9H,1-6H3
InChIKey
KHQPNTUINXYCKH-UHFFFAOYSA-N
Compound name
5-methoxy-1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

288.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17180 160.0
[M+Na]+ 311.15374 172.7
[M-H]- 287.15724 168.1
[M+NH4]+ 306.19834 180.1
[M+K]+ 327.12768 172.0
[M+H-H2O]+ 271.16178 154.6
[M+HCOO]- 333.16272 180.0
[M+CH3COO]- 347.17837 174.3
[M+Na-2H]- 309.13919 164.3
[M]+ 288.16397 168.1
[M]- 288.16507 168.1
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