CID 506176

Genz-12646

Structural Information

Molecular Formula
C26H21Br2N3O
SMILES
C1CN(CCN1C2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C26H21Br2N3O/c27-18-2-4-20-21-5-3-19(28)15-23(21)25(22(20)14-18)30-9-11-31(12-10-30)26(32)17-1-6-24-16(13-17)7-8-29-24/h1-8,13-15,25,29H,9-12H2
InChIKey
FHYFUDRDZMIKQS-UHFFFAOYSA-N
Compound name
[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

549.0051 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.01238 207.9
[M+Na]+ 571.99432 216.4
[M-H]- 547.99782 217.5
[M+NH4]+ 567.03892 219.9
[M+K]+ 587.96826 202.0
[M+H-H2O]+ 532.00236 215.1
[M+HCOO]- 594.00330 215.8
[M+CH3COO]- 608.01895 216.7
[M+Na-2H]- 569.97977 206.8
[M]+ 549.00455 239.1
[M]- 549.00565 239.1
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

patents stripe