CID 506171

Genz-12638

Structural Information

Molecular Formula
C26H21I2N3O
SMILES
C1CN(CCN1C2C3=C(C=CC(=C3)I)C4=C2C=C(C=C4)I)C(=O)C5=CC6=C(C=C5)NC=C6
InChI
InChI=1S/C26H21I2N3O/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
RCRXTLARXVAPKT-UHFFFAOYSA-N
Compound name
[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

644.9774 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.98468 192.5
[M+Na]+ 667.96662 186.1
[M-H]- 643.97012 186.2
[M+NH4]+ 663.01122 194.1
[M+K]+ 683.94056 189.7
[M+H-H2O]+ 627.97466 176.9
[M+HCOO]- 689.97560 195.5
[M+CH3COO]- 703.99125 192.3
[M+Na-2H]- 665.95207 176.5
[M]+ 644.97685 185.3
[M]- 644.97795 185.3
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.