CID 15956424

Chembl203894

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)C4=CC=CC=C4)NC2=O
InChI
InChI=1S/C19H17NO3/c1-2-23-17(21)15-11-19(15)14-10-13(12-6-4-3-5-7-12)8-9-16(14)20-18(19)22/h3-10,15H,2,11H2,1H3,(H,20,22)/t15-,19-/m1/s1
InChIKey
BTRHQGKPQZGTLT-DNVCBOLYSA-N
Compound name
ethyl (1'S,3S)-2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 173.1
[M+Na]+ 330.11007 183.5
[M-H]- 306.11357 181.0
[M+NH4]+ 325.15467 186.2
[M+K]+ 346.08401 177.6
[M+H-H2O]+ 290.11811 166.2
[M+HCOO]- 352.11905 191.8
[M+CH3COO]- 366.13470 184.1
[M+Na-2H]- 328.09552 175.8
[M]+ 307.12030 176.1
[M]- 307.12140 176.1
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.