CID 889579

2-ethyl-n-methyl-n-phenylbutanamide

Structural Information

Molecular Formula
C13H19NO
SMILES
CCC(CC)C(=O)N(C)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-4-11(5-2)13(15)14(3)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKey
SNZCLMYJDVUZEU-UHFFFAOYSA-N
Compound name
2-ethyl-N-methyl-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

205.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 149.5
[M+Na]+ 228.135888 154.3
[M-H]- 204.139394 153.9
[M+NH4]+ 223.180493 168.7
[M+K]+ 244.109828 153.6
[M+H-H2O]+ 188.143930 142.7
[M+HCOO]- 250.144871 172.7
[M+CH3COO]- 264.160521 194.0
[M+Na-2H]- 226.121336 152.5
[M]+ 205.14612142 150.7
[M]- 205.14721858 150.7
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