CID 140744180

1787297-57-7

Structural Information

Molecular Formula
C17H20BClN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)C(=O)NC3(CC3)C#N
InChI
InChI=1S/C17H20BClN2O3/c1-15(2)16(3,4)24-18(23-15)11-5-6-13(19)12(9-11)14(22)21-17(10-20)7-8-17/h5-6,9H,7-8H2,1-4H3,(H,21,22)
InChIKey
HDQOUPIKKYCNPL-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-cyanocyclopropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

346.12555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13283 166.1
[M+Na]+ 369.11477 183.7
[M-H]- 345.11827 178.3
[M+NH4]+ 364.15937 181.0
[M+K]+ 385.08871 176.8
[M+H-H2O]+ 329.12281 159.4
[M+HCOO]- 391.12375 180.0
[M+CH3COO]- 405.13940 222.3
[M+Na-2H]- 367.10022 172.1
[M]+ 346.12500 170.7
[M]- 346.12610 170.7
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