CID 15956419

Chembl205830

Structural Information

Molecular Formula
C14H14BrNO3
SMILES
CC(C)OC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C14H14BrNO3/c1-7(2)19-12(17)10-6-14(10)9-5-8(15)3-4-11(9)16-13(14)18/h3-5,7,10H,6H2,1-2H3,(H,16,18)/t10-,14-/m1/s1
InChIKey
PFPGBGLIJQDPIN-QMTHXVAHSA-N
Compound name
propan-2-yl (1'S,3S)-5-bromo-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.01572 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.02300 169.2
[M+Na]+ 346.00494 183.0
[M-H]- 322.00844 176.8
[M+NH4]+ 341.04954 185.9
[M+K]+ 361.97888 170.6
[M+H-H2O]+ 306.01298 170.1
[M+HCOO]- 368.01392 185.0
[M+CH3COO]- 382.02957 203.3
[M+Na-2H]- 343.99039 172.3
[M]+ 323.01517 190.3
[M]- 323.01627 190.3
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.