CID 6435364

77945-05-2

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC/C(=C\C1=CC=CC=C1)/C(=O)NCCN(CC)CC
InChI
InChI=1S/C17H26N2O/c1-4-16(14-15-10-8-7-9-11-15)17(20)18-12-13-19(5-2)6-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,18,20)/b16-14+
InChIKey
QRCAYWCMNRNSGU-JQIJEIRASA-N
Compound name
(2E)-2-benzylidene-N-[2-(diethylamino)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 171.4
[M+Na]+ 297.193718 173.9
[M-H]- 273.197224 175.0
[M+NH4]+ 292.238323 187.3
[M+K]+ 313.167658 171.6
[M+H-H2O]+ 257.201760 163.3
[M+HCOO]- 319.202701 194.4
[M+CH3COO]- 333.218351 209.3
[M+Na-2H]- 295.179166 172.5
[M]+ 274.20395142 172.5
[M]- 274.20504858 172.5
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

No patent data available for this compound.