CID 50455

Fenoctimine

Structural Information

Molecular Formula
C27H38N2
SMILES
CCCCCCCCN=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H38N2/c1-2-3-4-5-6-13-20-28-23-29-21-18-26(19-22-29)27(24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26-27H,2-6,13,18-22H2,1H3
InChIKey
JXPCRJDMUSNASY-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperidin-1-yl)-N-octylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

158
Patents

390.3035 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.31078 202.7
[M+Na]+ 413.29272 202.1
[M-H]- 389.29622 208.9
[M+NH4]+ 408.33732 211.7
[M+K]+ 429.26666 195.4
[M+H-H2O]+ 373.30076 190.3
[M+HCOO]- 435.30170 219.8
[M+CH3COO]- 449.31735 228.1
[M+Na-2H]- 411.27817 202.0
[M]+ 390.30295 199.5
[M]- 390.30405 199.5
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.