CID 3063573

Brn 3339063

Structural Information

Molecular Formula
C14H19N3O
SMILES
CCN(CC)CC(=O)N(CC1=CC=CC=C1)C#N
InChI
InChI=1S/C14H19N3O/c1-3-16(4-2)11-14(18)17(12-15)10-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKey
BLFJYFWDIFPJDN-UHFFFAOYSA-N
Compound name
N-benzyl-N-cyano-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 161.5
[M+Na]+ 268.14204 167.5
[M-H]- 244.14554 166.1
[M+NH4]+ 263.18664 177.2
[M+K]+ 284.11598 166.3
[M+H-H2O]+ 228.15008 147.0
[M+HCOO]- 290.15102 182.7
[M+CH3COO]- 304.16667 215.5
[M+Na-2H]- 266.12749 164.2
[M]+ 245.15227 158.6
[M]- 245.15337 158.6
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.