CID 57415694

Benzamide, n-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Structural Information

Molecular Formula
C18H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3CCCC3
InChI
InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-9-13(10-12-14)16(21)20-15-7-5-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,20,21)
InChIKey
ZEYNCUYCJKNKER-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

315.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20784 172.8
[M+Na]+ 338.18978 178.4
[M-H]- 314.19328 183.7
[M+NH4]+ 333.23438 191.8
[M+K]+ 354.16372 177.7
[M+H-H2O]+ 298.19782 167.9
[M+HCOO]- 360.19876 191.8
[M+CH3COO]- 374.21441 207.1
[M+Na-2H]- 336.17523 173.5
[M]+ 315.20001 172.4
[M]- 315.20111 172.4
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