CID 11501388

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

Structural Information

Molecular Formula
C17H17BrN2O2
SMILES
CCCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C17H17BrN2O2/c1-2-3-4-9-12-13(10-7-5-6-8-11(10)19-12)14-15(18)17(22)20-16(14)21/h5-8,19H,2-4,9H2,1H3,(H,20,21,22)
InChIKey
YJHZJQCNYHZUDL-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-pentyl-1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.04733 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05461 179.3
[M+Na]+ 383.03655 192.3
[M-H]- 359.04005 185.5
[M+NH4]+ 378.08115 197.1
[M+K]+ 399.01049 178.2
[M+H-H2O]+ 343.04459 178.6
[M+HCOO]- 405.04553 196.9
[M+CH3COO]- 419.06118 206.2
[M+Na-2H]- 381.02200 179.8
[M]+ 360.04678 199.0
[M]- 360.04788 199.0
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.