CID 6453062

54729-42-9

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CN(CCC1NC2=CC(=O)OC3=CC=CC=C32)CCCC4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c26-23-17-21(20-10-4-5-11-22(20)27-23)24-19-12-15-25(16-13-19)14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,17,19,24H,6,9,12-16H2
InChIKey
HTQQNAVSHXDHTF-UHFFFAOYSA-N
Compound name
4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

362.19943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 188.0
[M+Na]+ 385.188648 192.3
[M-H]- 361.192154 196.3
[M+NH4]+ 380.233253 197.6
[M+K]+ 401.162588 187.0
[M+H-H2O]+ 345.196690 176.4
[M+HCOO]- 407.197631 205.1
[M+CH3COO]- 421.213281 196.6
[M+Na-2H]- 383.174096 192.5
[M]+ 362.19888142 185.3
[M]- 362.19997858 185.3
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