CID 11667380

3-bromo-4-(2-butyl-1h-indol-3-yl)pyrrole-2,5-dione

Structural Information

Molecular Formula
C16H15BrN2O2
SMILES
CCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C16H15BrN2O2/c1-2-3-7-11-12(9-6-4-5-8-10(9)18-11)13-14(17)16(21)19-15(13)20/h4-6,8,18H,2-3,7H2,1H3,(H,19,20,21)
InChIKey
NLQYCYUBAASOFZ-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-butyl-1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.03168 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03896 174.8
[M+Na]+ 369.02090 188.3
[M-H]- 345.02440 181.2
[M+NH4]+ 364.06550 193.1
[M+K]+ 384.99484 174.3
[M+H-H2O]+ 329.02894 174.3
[M+HCOO]- 391.02988 192.8
[M+CH3COO]- 405.04553 187.9
[M+Na-2H]- 367.00635 175.8
[M]+ 346.03113 194.2
[M]- 346.03223 194.2
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.