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

12
Patents

239.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.138286 155.6
[M+Na]+ 262.120228 161.5
[M-H]- 238.123734 162.0
[M+NH4]+ 257.164833 172.6
[M+K]+ 278.094168 157.4
[M+H-H2O]+ 222.128270 147.8
[M+HCOO]- 284.129211 179.8
[M+CH3COO]- 298.144861 195.4
[M+Na-2H]- 260.105676 161.0
[M]+ 239.13046142 155.0
[M]- 239.13155858 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

literature stripe

Patent stripe

patents stripe