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]+ 363.20671 191.0
[M+Na]+ 385.18865 197.0
[M-H]- 361.19215 198.3
[M+NH4]+ 380.23325 199.7
[M+K]+ 401.16259 191.4
[M+H-H2O]+ 345.19669 178.7
[M+HCOO]- 407.19763 205.6
[M+CH3COO]- 421.21328 199.5
[M+Na-2H]- 383.17410 193.8
[M]+ 362.19888 189.6
[M]- 362.19998 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.