CID 211038

Benzenebutanamide, n,n-dimethyl-gamma-phenyl-

Structural Information

Molecular Formula
C18H21NO
SMILES
CN(C)C(=O)CCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-19(2)18(20)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey
USFVUNSWKOVZJB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4,4-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.5
[M+Na]+ 290.15154 169.3
[M-H]- 266.15504 172.6
[M+NH4]+ 285.19614 181.5
[M+K]+ 306.12548 166.7
[M+H-H2O]+ 250.15958 156.9
[M+HCOO]- 312.16052 188.4
[M+CH3COO]- 326.17617 204.6
[M+Na-2H]- 288.13699 168.5
[M]+ 267.16177 165.8
[M]- 267.16287 165.8
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