CID 3064396

Piperidine, 1-(2-(n-(cyclohexylmethyl)-p-anisidino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H34N2O
SMILES
COC1=CC=C(C=C1)N(CCN2CCCCC2)CC3CCCCC3
InChI
InChI=1S/C21H34N2O/c1-24-21-12-10-20(11-13-21)23(18-19-8-4-2-5-9-19)17-16-22-14-6-3-7-15-22/h10-13,19H,2-9,14-18H2,1H3
InChIKey
NSCBKHXKIIFDJY-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.26712 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27440 183.9
[M+Na]+ 353.25634 182.4
[M-H]- 329.25984 190.1
[M+NH4]+ 348.30094 195.1
[M+K]+ 369.23028 179.1
[M+H-H2O]+ 313.26438 172.5
[M+HCOO]- 375.26532 198.8
[M+CH3COO]- 389.28097 214.9
[M+Na-2H]- 351.24179 183.4
[M]+ 330.26657 176.7
[M]- 330.26767 176.7
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.