CID 54966

Anipamil

Structural Information

Molecular Formula
C34H52N2O2
SMILES
CCCCCCCCCCCCC(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=CC=C2)OC
InChI
InChI=1S/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3
InChIKey
PHFDAOXXIZOUIX-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

2968
Patents

520.4029 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.41018 236.7
[M+Na]+ 543.39212 238.7
[M-H]- 519.39562 240.0
[M+NH4]+ 538.43672 241.9
[M+K]+ 559.36606 231.8
[M+H-H2O]+ 503.40016 219.2
[M+HCOO]- 565.40110 251.1
[M+CH3COO]- 579.41675 261.2
[M+Na-2H]- 541.37757 233.0
[M]+ 520.40235 239.7
[M]- 520.40345 239.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe