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
2
Annotation Hits

0
References

33
Patents

380.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.3
[M+Na]+ 403.23559 197.5
[M-H]- 379.23909 203.8
[M+NH4]+ 398.28019 205.9
[M+K]+ 419.20953 193.5
[M+H-H2O]+ 363.24363 184.7
[M+HCOO]- 425.24457 213.9
[M+CH3COO]- 439.26022 225.3
[M+Na-2H]- 401.22104 195.6
[M]+ 380.24582 194.9
[M]- 380.24692 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