CID 24729508

1-acetyl-7-bromoindolin-5-amine

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
CC(=O)N1CCC2=C1C(=CC(=C2)N)Br
InChI
InChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(12)5-9(11)10(7)13/h4-5H,2-3,12H2,1H3
InChIKey
DSPOGIZSYHNAPN-UHFFFAOYSA-N
Compound name
1-(5-amino-7-bromo-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 151.0
[M+Na]+ 276.99470 152.8
[M+NH4]+ 272.03930 155.6
[M+K]+ 292.96864 154.7
[M-H]- 252.99820 151.1
[M+Na-2H]- 274.98015 151.9
[M]+ 254.00493 149.9
[M]- 254.00603 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.