CID 211168

Brn 0592906

Structural Information

Molecular Formula
C25H22N4O4
SMILES
C1CN(CCN(C1)C(=O)C(=O)C2=CNC3=CC=CC=C32)C(=O)C(=O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H22N4O4/c30-22(18-14-26-20-8-3-1-6-16(18)20)24(32)28-10-5-11-29(13-12-28)25(33)23(31)19-15-27-21-9-4-2-7-17(19)21/h1-4,6-9,14-15,26-27H,5,10-13H2
InChIKey
QKRHDBODGCETSI-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-[4-[2-(1H-indol-3-yl)-2-oxoacetyl]-1,4-diazepan-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1641 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17138 202.3
[M+Na]+ 465.15332 211.4
[M+NH4]+ 460.19792 205.5
[M+K]+ 481.12726 211.6
[M-H]- 441.15682 203.2
[M+Na-2H]- 463.13877 205.9
[M]+ 442.16355 203.4
[M]- 442.16465 203.4
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.