CID 68912

Vadocaine

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CC1CCCCN1CCC(=O)NC2=C(C=C(C=C2OC)C)C
InChI
InChI=1S/C18H28N2O2/c1-13-11-14(2)18(16(12-13)22-4)19-17(21)8-10-20-9-6-5-7-15(20)3/h11-12,15H,5-10H2,1-4H3,(H,19,21)
InChIKey
UJCARUGFZOJPMI-UHFFFAOYSA-N
Compound name
N-(2-methoxy-4,6-dimethylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

324
Patents

304.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 176.0
[M+Na]+ 327.20432 180.6
[M-H]- 303.20782 180.6
[M+NH4]+ 322.24892 189.7
[M+K]+ 343.17826 177.3
[M+H-H2O]+ 287.21236 167.3
[M+HCOO]- 349.21330 194.0
[M+CH3COO]- 363.22895 210.8
[M+Na-2H]- 325.18977 175.4
[M]+ 304.21455 175.1
[M]- 304.21565 175.1
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.