CID 15956431

Chembl380662

Structural Information

Molecular Formula
C15H17BrN2O2
SMILES
CCN(CC)C(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C15H17BrN2O2/c1-3-18(4-2)13(19)11-8-15(11)10-7-9(16)5-6-12(10)17-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,17,20)/t11-,15-/m1/s1
InChIKey
KHYFFMGSGKAKJC-IAQYHMDHSA-N
Compound name
(1'S,3S)-5-bromo-N,N-diethyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.04733 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05461 172.9
[M+Na]+ 359.03655 185.9
[M-H]- 335.04005 181.4
[M+NH4]+ 354.08115 189.5
[M+K]+ 375.01049 173.3
[M+H-H2O]+ 319.04459 172.9
[M+HCOO]- 381.04553 190.5
[M+CH3COO]- 395.06118 210.6
[M+Na-2H]- 357.02200 176.3
[M]+ 336.04678 193.9
[M]- 336.04788 193.9
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.