CID 11632770

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

Structural Information

Molecular Formula
C20H23BrN2O2
SMILES
CCCCCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)Br
InChI
InChI=1S/C20H23BrN2O2/c1-3-4-5-6-7-12-15-16(13-10-8-9-11-14(13)22-15)17-18(21)20(25)23(2)19(17)24/h8-11,22H,3-7,12H2,1-2H3
InChIKey
OSNQPHJNAPLBFP-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-heptyl-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.0943 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10158 192.0
[M+Na]+ 425.08352 205.0
[M-H]- 401.08702 199.3
[M+NH4]+ 420.12812 209.1
[M+K]+ 441.05746 191.0
[M+H-H2O]+ 385.09156 190.8
[M+HCOO]- 447.09250 210.0
[M+CH3COO]- 461.10815 217.8
[M+Na-2H]- 423.06897 190.7
[M]+ 402.09375 214.6
[M]- 402.09485 214.6
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.