CID 57259

Brn 2731377

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCC1=CC(=CC=C1)NC(=O)CCCN(CC)CC
InChI
InChI=1S/C16H26N2O/c1-4-14-9-7-10-15(13-14)17-16(19)11-8-12-18(5-2)6-3/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,17,19)
InChIKey
UATBFOLZKRMHKB-UHFFFAOYSA-N
Compound name
4-(diethylamino)-N-(3-ethylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 167.0
[M+Na]+ 285.19372 170.8
[M-H]- 261.19722 171.1
[M+NH4]+ 280.23832 183.9
[M+K]+ 301.16766 168.9
[M+H-H2O]+ 245.20176 159.2
[M+HCOO]- 307.20270 191.2
[M+CH3COO]- 321.21835 208.2
[M+Na-2H]- 283.17917 169.2
[M]+ 262.20395 169.6
[M]- 262.20505 169.6
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.