CID 11588559

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

Structural Information

Molecular Formula
C17H17BrN2O2
SMILES
CCCCC1=C(C2=CC=CC=C2N1C)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C17H17BrN2O2/c1-3-4-8-12-13(14-15(18)17(22)19-16(14)21)10-7-5-6-9-11(10)20(12)2/h5-7,9H,3-4,8H2,1-2H3,(H,19,21,22)
InChIKey
UFXSKKBOBIYLFN-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-butyl-1-methylindol-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05461 178.4
[M+Na]+ 383.03655 192.8
[M-H]- 359.04005 186.2
[M+NH4]+ 378.08115 197.2
[M+K]+ 399.01049 179.4
[M+H-H2O]+ 343.04459 177.9
[M+HCOO]- 405.04553 197.5
[M+CH3COO]- 419.06118 209.6
[M+Na-2H]- 381.02200 178.7
[M]+ 360.04678 200.2
[M]- 360.04788 200.2
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.