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

7
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 167.6
[M+Na]+ 347.03655 179.4
[M-H]- 323.04005 174.8
[M+NH4]+ 342.08115 187.9
[M+K]+ 363.01049 168.1
[M+H-H2O]+ 307.04459 166.4
[M+HCOO]- 369.04553 188.1
[M+CH3COO]- 383.06118 210.6
[M+Na-2H]- 345.02200 170.7
[M]+ 324.04678 189.6
[M]- 324.04788 189.6
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