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]+ 311.13902 175.9
[M+Na]+ 333.12096 187.4
[M-H]- 309.12446 183.2
[M+NH4]+ 328.16556 189.7
[M+K]+ 349.09490 181.1
[M+H-H2O]+ 293.12900 169.9
[M+HCOO]- 355.12994 194.2
[M+CH3COO]- 369.14559 187.1
[M+Na-2H]- 331.10641 175.7
[M]+ 310.13119 180.4
[M]- 310.13229 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.