CID 15956427

Chembl205695

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)C4=CC=CN4C)NC2=O
InChI
InChI=1S/C18H18N2O3/c1-3-23-16(21)13-10-18(13)12-9-11(15-5-4-8-20(15)2)6-7-14(12)19-17(18)22/h4-9,13H,3,10H2,1-2H3,(H,19,22)/t13-,18-/m1/s1
InChIKey
VISISKGOBQKZEA-FZKQIMNGSA-N
Compound name
ethyl (1'S,3S)-5-(1-methylpyrrol-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 175.9
[M+Na]+ 333.120958 187.4
[M-H]- 309.124464 183.2
[M+NH4]+ 328.165563 189.7
[M+K]+ 349.094898 181.1
[M+H-H2O]+ 293.129000 169.9
[M+HCOO]- 355.129941 194.2
[M+CH3COO]- 369.145591 187.1
[M+Na-2H]- 331.106406 175.7
[M]+ 310.13119142 180.4
[M]- 310.13228858 180.4
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.