CID 8071416

5-bromo-1-[2-(diethylamino)ethyl]-2,3-dihydro-1h-indole-2,3-dione hydrochloride

Structural Information

Molecular Formula
C14H17BrN2O2
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)Br)C(=O)C1=O
InChI
InChI=1S/C14H17BrN2O2/c1-3-16(4-2)7-8-17-12-6-5-10(15)9-11(12)13(18)14(17)19/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
XYTCKROCDJCWRW-UHFFFAOYSA-N
Compound name
5-bromo-1-[2-(diethylamino)ethyl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

324.04733 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05461 169.7
[M+Na]+ 347.03655 171.4
[M+NH4]+ 342.08115 173.3
[M+K]+ 363.01049 172.4
[M-H]- 323.04005 169.6
[M+Na-2H]- 345.02200 169.7
[M]+ 324.04678 168.5
[M]- 324.04788 168.5
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

patents stripe