CID 44755179

1073354-77-4

Structural Information

Molecular Formula
C18H29BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N(C)C(=O)C(C)(C)C)C
InChI
InChI=1S/C18H29BN2O3/c1-12-10-13(19-23-17(5,6)18(7,8)24-19)11-20-14(12)21(9)15(22)16(2,3)4/h10-11H,1-9H3
InChIKey
UDQCKKFSDYYIAI-UHFFFAOYSA-N
Compound name
N,2,2-trimethyl-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2271 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23438 174.3
[M+Na]+ 355.21632 182.3
[M-H]- 331.21982 183.0
[M+NH4]+ 350.26092 191.3
[M+K]+ 371.19026 184.0
[M+H-H2O]+ 315.22436 169.4
[M+HCOO]- 377.22530 191.8
[M+CH3COO]- 391.24095 217.5
[M+Na-2H]- 353.20177 177.5
[M]+ 332.22655 180.2
[M]- 332.22765 180.2
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.