CID 15956358

Chembl205276

Structural Information

Molecular Formula
C14H10ClNO2
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CO4
InChI
InChI=1S/C14H10ClNO2/c15-8-3-4-11-9(6-8)14(13(17)16-11)7-10(14)12-2-1-5-18-12/h1-6,10H,7H2,(H,16,17)/t10-,14-/m1/s1
InChIKey
PYADYULIOLCLIK-QMTHXVAHSA-N
Compound name
(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.04 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04728 154.6
[M+Na]+ 282.02922 167.8
[M-H]- 258.03272 163.6
[M+NH4]+ 277.07382 171.1
[M+K]+ 298.00316 162.1
[M+H-H2O]+ 242.03726 149.7
[M+HCOO]- 304.03820 170.6
[M+CH3COO]- 318.05385 167.8
[M+Na-2H]- 280.01467 158.5
[M]+ 259.03945 159.3
[M]- 259.04055 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.