CID 118796493

4-methoxybutyrfentanyl

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H32N2O2/c1-3-7-24(27)26(21-10-12-23(28-2)13-11-21)22-15-18-25(19-16-22)17-14-20-8-5-4-6-9-20/h4-6,8-13,22H,3,7,14-19H2,1-2H3
InChIKey
FNVSEQCPMXWQKG-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

380.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 196.3
[M+Na]+ 403.235588 197.5
[M-H]- 379.239094 203.8
[M+NH4]+ 398.280193 205.9
[M+K]+ 419.209528 193.5
[M+H-H2O]+ 363.243630 184.7
[M+HCOO]- 425.244571 213.9
[M+CH3COO]- 439.260221 225.3
[M+Na-2H]- 401.221036 195.6
[M]+ 380.24582142 194.9
[M]- 380.24691858 194.9
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