CID 15956432

Chembl205417

Structural Information

Molecular Formula
C15H15BrN2O2
SMILES
C1CCN(C1)C(=O)[C@H]2C[C@@]23C4=C(C=CC(=C4)Br)NC3=O
InChI
InChI=1S/C15H15BrN2O2/c16-9-3-4-12-10(7-9)15(14(20)17-12)8-11(15)13(19)18-5-1-2-6-18/h3-4,7,11H,1-2,5-6,8H2,(H,17,20)/t11-,15-/m1/s1
InChIKey
KXSWLJWRFXTBQF-IAQYHMDHSA-N
Compound name
(2'S,3S)-5-bromo-2'-(pyrrolidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.03168 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03896 176.3
[M+Na]+ 357.02090 189.5
[M-H]- 333.02440 185.3
[M+NH4]+ 352.06550 192.7
[M+K]+ 372.99484 176.6
[M+H-H2O]+ 317.02894 176.9
[M+HCOO]- 379.02988 191.0
[M+CH3COO]- 393.04553 188.6
[M+Na-2H]- 355.00635 177.2
[M]+ 334.03113 193.3
[M]- 334.03223 193.3
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.