CID 16782848

2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxyaniline

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC1CCCC(N1C(=O)C2=CC(=C(C=C2N)OC)OC)C
InChI
InChI=1S/C16H24N2O3/c1-10-6-5-7-11(2)18(10)16(19)12-8-14(20-3)15(21-4)9-13(12)17/h8-11H,5-7,17H2,1-4H3
InChIKey
XROHDCHIGKJPAL-UHFFFAOYSA-N
Compound name
(2-amino-4,5-dimethoxyphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 170.5
[M+Na]+ 315.16790 176.8
[M-H]- 291.17140 175.3
[M+NH4]+ 310.21250 184.6
[M+K]+ 331.14184 174.3
[M+H-H2O]+ 275.17594 162.3
[M+HCOO]- 337.17688 188.7
[M+CH3COO]- 351.19253 207.7
[M+Na-2H]- 313.15335 169.2
[M]+ 292.17813 169.7
[M]- 292.17923 169.7
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.