CID 11139785

401792-02-7

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=CC(=O)C(=C(N1C)CN)OCC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O2/c1-11-8-14(18)15(13(9-16)17(11)2)19-10-12-6-4-3-5-7-12/h3-8H,9-10,16H2,1-2H3
InChIKey
YWDKTOKVJMCHGW-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

258.13684 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.3
[M+Na]+ 281.12606 168.5
[M-H]- 257.12956 165.0
[M+NH4]+ 276.17066 174.9
[M+K]+ 297.10000 164.4
[M+H-H2O]+ 241.13410 150.9
[M+HCOO]- 303.13504 183.0
[M+CH3COO]- 317.15069 200.0
[M+Na-2H]- 279.11151 163.3
[M]+ 258.13629 161.3
[M]- 258.13739 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe