CID 720058

N-[(4-methoxyphenyl)methyl]-4-methylbenzamide

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H17NO2/c1-12-3-7-14(8-4-12)16(18)17-11-13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKey
CIAHIBOMLHLCNR-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

255.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.7
[M+Na]+ 278.11515 165.4
[M-H]- 254.11865 165.5
[M+NH4]+ 273.15975 175.3
[M+K]+ 294.08909 162.1
[M+H-H2O]+ 238.12319 150.8
[M+HCOO]- 300.12413 183.1
[M+CH3COO]- 314.13978 198.6
[M+Na-2H]- 276.10060 163.4
[M]+ 255.12538 160.0
[M]- 255.12648 160.0
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