CID 668773

2-methyl-n-(2-phenylethyl)benzamide

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C16H17NO/c1-13-7-5-6-10-15(13)16(18)17-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKey
GSBKTZGAXXREIT-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

239.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 155.6
[M+Na]+ 262.12023 161.5
[M-H]- 238.12373 162.0
[M+NH4]+ 257.16483 172.6
[M+K]+ 278.09417 157.4
[M+H-H2O]+ 222.12827 147.8
[M+HCOO]- 284.12921 179.8
[M+CH3COO]- 298.14486 195.4
[M+Na-2H]- 260.10568 161.0
[M]+ 239.13046 155.0
[M]- 239.13156 155.0
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.