CID 44119148

874290-97-8

Structural Information

Molecular Formula
C17H25BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)N3CCOCC3
InChI
InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
InChIKey
NPVFWSDIINWNDP-UHFFFAOYSA-N
Compound name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

332.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19801 177.6
[M+Na]+ 355.17995 182.8
[M-H]- 331.18345 187.4
[M+NH4]+ 350.22455 191.2
[M+K]+ 371.15389 184.1
[M+H-H2O]+ 315.18799 170.4
[M+HCOO]- 377.18893 192.5
[M+CH3COO]- 391.20458 209.2
[M+Na-2H]- 353.16540 180.4
[M]+ 332.19018 177.1
[M]- 332.19128 177.1
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