CID 471074

174093-83-5

Structural Information

Molecular Formula
C18H17N3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C18H17N3O3/c22-17(15-12-13-4-1-2-5-14(13)19-15)20-7-9-21(10-8-20)18(23)16-6-3-11-24-16/h1-6,11-12,19H,7-10H2
InChIKey
FQBANVWJZPKHDX-UHFFFAOYSA-N
Compound name
furan-2-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 173.7
[M+Na]+ 346.11620 180.0
[M-H]- 322.11970 180.0
[M+NH4]+ 341.16080 185.4
[M+K]+ 362.09014 176.3
[M+H-H2O]+ 306.12424 164.5
[M+HCOO]- 368.12518 189.1
[M+CH3COO]- 382.14083 183.5
[M+Na-2H]- 344.10165 173.3
[M]+ 323.12643 171.7
[M]- 323.12753 171.7
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

No patent data available for this compound.