CID 17750164

532391-30-3

Structural Information

Molecular Formula
C16H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)NC(=O)C(C)(C)C
InChI
InChI=1S/C16H25BN2O3/c1-14(2,3)13(20)19-12-11(9-8-10-18-12)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3,(H,18,19,20)
InChIKey
JTGWGXPOGSUYCT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-[3-(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

16
Patents

304.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20311 168.2
[M+Na]+ 327.18505 176.0
[M-H]- 303.18855 175.5
[M+NH4]+ 322.22965 185.4
[M+K]+ 343.15899 176.6
[M+H-H2O]+ 287.19309 163.2
[M+HCOO]- 349.19403 185.9
[M+CH3COO]- 363.20968 206.9
[M+Na-2H]- 325.17050 173.5
[M]+ 304.19528 171.8
[M]- 304.19638 171.8
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