CID 50309

Brn 0833477

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC1=C(OC2=CC=CC=C2C1=O)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c1-18-21(27-22-11-6-5-10-20(22)23(18)26)12-7-13-24-14-16-25(17-15-24)19-8-3-2-4-9-19/h2-6,8-11H,7,12-17H2,1H3
InChIKey
WMXNMUFXMKASDF-UHFFFAOYSA-N
Compound name
3-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 191.0
[M+Na]+ 385.188648 197.0
[M-H]- 361.192154 198.3
[M+NH4]+ 380.233253 199.7
[M+K]+ 401.162588 191.4
[M+H-H2O]+ 345.196690 178.7
[M+HCOO]- 407.197631 205.6
[M+CH3COO]- 421.213281 199.5
[M+Na-2H]- 383.174096 193.8
[M]+ 362.19888142 189.6
[M]- 362.19997858 189.6
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.