CID 11660258

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

Structural Information

Molecular Formula
C16H15BrN2O2
SMILES
CCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)Br
InChI
InChI=1S/C16H15BrN2O2/c1-3-6-11-12(9-7-4-5-8-10(9)18-11)13-14(17)16(21)19(2)15(13)20/h4-5,7-8,18H,3,6H2,1-2H3
InChIKey
DNNXCZPPOGQYLI-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-4-(2-propyl-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03896 173.8
[M+Na]+ 369.02090 188.7
[M-H]- 345.02440 181.9
[M+NH4]+ 364.06550 193.2
[M+K]+ 384.99484 175.5
[M+H-H2O]+ 329.02894 173.5
[M+HCOO]- 391.02988 193.2
[M+CH3COO]- 405.04553 206.8
[M+Na-2H]- 367.00635 174.7
[M]+ 346.03113 195.3
[M]- 346.03223 195.3
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.