CID 35911

31755-26-7

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCN1CCCC(C1)OC(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-10-16(13-20)22-18(21)19-17-14(2)8-6-9-15(17)3/h6,8-9,16H,4-5,7,10-13H2,1-3H3,(H,19,21)
InChIKey
HJSYTYDDUHMHMY-UHFFFAOYSA-N
Compound name
(1-butylpiperidin-3-yl) N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 176.4
[M+Na]+ 327.20432 180.1
[M-H]- 303.20782 180.6
[M+NH4]+ 322.24892 189.8
[M+K]+ 343.17826 176.8
[M+H-H2O]+ 287.21236 167.4
[M+HCOO]- 349.21330 194.4
[M+CH3COO]- 363.22895 208.9
[M+Na-2H]- 325.18977 176.4
[M]+ 304.21455 174.9
[M]- 304.21565 174.9
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