CID 44119373

874290-95-6

Structural Information

Molecular Formula
C17H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)N3CCCC3
InChI
InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)13-7-9-14(10-8-13)19-15(21)20-11-5-6-12-20/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKey
YYWNYUFLSXVMRD-UHFFFAOYSA-N
Compound name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

316.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20311 172.1
[M+Na]+ 339.18505 178.1
[M-H]- 315.18855 181.9
[M+NH4]+ 334.22965 189.8
[M+K]+ 355.15899 177.7
[M+H-H2O]+ 299.19309 166.1
[M+HCOO]- 361.19403 190.2
[M+CH3COO]- 375.20968 206.2
[M+Na-2H]- 337.17050 173.0
[M]+ 316.19528 171.8
[M]- 316.19638 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