CID 3046177

61706-45-4

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)N)C(=O)N(CC)CC
InChI
InChI=1S/C20H26N2O/c1-4-20(16-10-8-7-9-11-16,19(23)22(5-2)6-3)17-12-14-18(21)15-13-17/h7-15H,4-6,21H2,1-3H3
InChIKey
VDWKFVVKYGVGBX-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-N,N-diethyl-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 177.9
[M+Na]+ 333.19372 181.7
[M-H]- 309.19722 184.7
[M+NH4]+ 328.23832 192.1
[M+K]+ 349.16766 178.4
[M+H-H2O]+ 293.20176 169.3
[M+HCOO]- 355.20270 200.0
[M+CH3COO]- 369.21835 215.5
[M+Na-2H]- 331.17917 180.5
[M]+ 310.20395 177.8
[M]- 310.20505 177.8
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

No patent data available for this compound.