CID 56423

2-anilino-n,n-diethylbutanamide

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCC(C(=O)N(CC)CC)NC1=CC=CC=C1
InChI
InChI=1S/C14H22N2O/c1-4-13(14(17)16(5-2)6-3)15-12-10-8-7-9-11-12/h7-11,13,15H,4-6H2,1-3H3
InChIKey
ISHHSJXZUSKYBZ-UHFFFAOYSA-N
Compound name
2-anilino-N,N-diethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 158.6
[M+Na]+ 257.16244 162.1
[M-H]- 233.16594 162.8
[M+NH4]+ 252.20704 176.2
[M+K]+ 273.13638 161.2
[M+H-H2O]+ 217.17048 151.1
[M+HCOO]- 279.17142 182.5
[M+CH3COO]- 293.18707 201.9
[M+Na-2H]- 255.14789 161.4
[M]+ 234.17267 159.5
[M]- 234.17377 159.5
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