CID 15956430

Chembl205500

Structural Information

Molecular Formula
C14H15BrN2O2
SMILES
CCCNC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C14H15BrN2O2/c1-2-5-16-12(18)10-7-14(10)9-6-8(15)3-4-11(9)17-13(14)19/h3-4,6,10H,2,5,7H2,1H3,(H,16,18)(H,17,19)/t10-,14-/m1/s1
InChIKey
YDIMAGIFBJMZRC-QMTHXVAHSA-N
Compound name
(1'S,3S)-5-bromo-2-oxo-N-propylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.03168 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03896 168.0
[M+Na]+ 345.02090 181.4
[M-H]- 321.02440 175.4
[M+NH4]+ 340.06550 184.5
[M+K]+ 360.99484 167.7
[M+H-H2O]+ 305.02894 168.3
[M+HCOO]- 367.02988 185.5
[M+CH3COO]- 381.04553 205.0
[M+Na-2H]- 343.00635 172.7
[M]+ 322.03113 187.7
[M]- 322.03223 187.7
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.