CID 3347151

2-methyl-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=CC=CC=C1C(=O)NC(C)C2=CC=CC=C2
InChI
InChI=1S/C16H17NO/c1-12-8-6-7-11-15(12)16(18)17-13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,17,18)
InChIKey
FGJJSSFDJWWUNG-UHFFFAOYSA-N
Compound name
2-methyl-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 155.8
[M+Na]+ 262.120228 161.4
[M-H]- 238.123734 162.3
[M+NH4]+ 257.164833 172.8
[M+K]+ 278.094168 157.9
[M+H-H2O]+ 222.128270 148.2
[M+HCOO]- 284.129211 179.0
[M+CH3COO]- 298.144861 196.3
[M+Na-2H]- 260.105676 160.0
[M]+ 239.13046142 154.7
[M]- 239.13155858 154.7
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

patents stripe