CID 2769538

936250-16-7

Structural Information

Molecular Formula
C18H29BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCCCN(C)C
InChI
InChI=1S/C18H29BN2O3/c1-17(2)18(3,4)24-19(23-17)15-10-7-9-14(13-15)16(22)20-11-8-12-21(5)6/h7,9-10,13H,8,11-12H2,1-6H3,(H,20,22)
InChIKey
VWYIKCSVDFBBTJ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

332.2271 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23438 179.3
[M+Na]+ 355.21632 184.9
[M-H]- 331.21982 188.5
[M+NH4]+ 350.26092 196.7
[M+K]+ 371.19026 185.9
[M+H-H2O]+ 315.22436 173.5
[M+HCOO]- 377.22530 200.4
[M+CH3COO]- 391.24095 218.8
[M+Na-2H]- 353.20177 182.0
[M]+ 332.22655 184.0
[M]- 332.22765 184.0
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