CID 3971

154447-38-8

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKey
NGAGMBNBKCDCDJ-UHFFFAOYSA-N
Compound name
8-phenyl-2-piperazin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

73
Patents

306.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.1
[M+Na]+ 329.12606 178.7
[M-H]- 305.12956 178.5
[M+NH4]+ 324.17066 182.2
[M+K]+ 345.10000 173.1
[M+H-H2O]+ 289.13410 161.0
[M+HCOO]- 351.13504 186.7
[M+CH3COO]- 365.15069 181.5
[M+Na-2H]- 327.11151 177.6
[M]+ 306.13629 167.4
[M]- 306.13739 167.4
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

patents stripe