CID 506380

1-(4-chloro-1h-indol-3-yl)-2-[4-(1h-indole-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C23H19ClN4O3
SMILES
C1CN(CCN1C(=O)C2=CC3=CC=CC=C3N2)C(=O)C(=O)C4=CNC5=C4C(=CC=C5)Cl
InChI
InChI=1S/C23H19ClN4O3/c24-16-5-3-7-18-20(16)15(13-25-18)21(29)23(31)28-10-8-27(9-11-28)22(30)19-12-14-4-1-2-6-17(14)26-19/h1-7,12-13,25-26H,8-11H2
InChIKey
IQDWPOMOUHWSMG-UHFFFAOYSA-N
Compound name
1-(4-chloro-1H-indol-3-yl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.11456 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12184 199.7
[M+Na]+ 457.10378 207.4
[M-H]- 433.10728 204.4
[M+NH4]+ 452.14838 208.0
[M+K]+ 473.07772 199.2
[M+H-H2O]+ 417.11182 189.7
[M+HCOO]- 479.11276 206.9
[M+CH3COO]- 493.12841 206.9
[M+Na-2H]- 455.08923 196.8
[M]+ 434.11401 199.6
[M]- 434.11511 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.