CID 16128498

Schembl12151867

Structural Information

Molecular Formula
C24H26N4O2
SMILES
CCCN=C(C1=CC=CC=C1)N2CCN(CC2)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C24H26N4O2/c1-2-12-25-23(18-8-4-3-5-9-18)27-13-15-28(16-14-27)24(30)22(29)20-17-26-21-11-7-6-10-19(20)21/h3-11,17,26H,2,12-16H2,1H3
InChIKey
KQYBCZORGZDHNX-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-[4-(C-phenyl-N-propylcarbonimidoyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

402.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 198.0
[M+Na]+ 425.19479 201.2
[M-H]- 401.19829 203.5
[M+NH4]+ 420.23939 205.9
[M+K]+ 441.16873 194.8
[M+H-H2O]+ 385.20283 186.1
[M+HCOO]- 447.20377 212.7
[M+CH3COO]- 461.21942 204.8
[M+Na-2H]- 423.18024 197.3
[M]+ 402.20502 194.7
[M]- 402.20612 194.7
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

patents stripe