CID 15956415

Chembl208408

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C(=CC(=C3)Cl)C)NC2=O
InChI
InChI=1S/C14H14ClNO3/c1-3-19-12(17)10-6-14(10)9-5-8(15)4-7(2)11(9)16-13(14)18/h4-5,10H,3,6H2,1-2H3,(H,16,18)/t10-,14-/m1/s1
InChIKey
GFIXMFWVRDQEPC-QMTHXVAHSA-N
Compound name
ethyl (1'S,3S)-5-chloro-7-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.06622 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 161.9
[M+Na]+ 302.05544 174.5
[M-H]- 278.05894 167.1
[M+NH4]+ 297.10004 177.7
[M+K]+ 318.02938 168.0
[M+H-H2O]+ 262.06348 157.6
[M+HCOO]- 324.06442 176.1
[M+CH3COO]- 338.08007 198.4
[M+Na-2H]- 300.04089 164.2
[M]+ 279.06567 168.1
[M]- 279.06677 168.1
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.