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]+ 246.160096 161.5
[M+Na]+ 268.142038 167.5
[M-H]- 244.145544 166.1
[M+NH4]+ 263.186643 177.2
[M+K]+ 284.115978 166.3
[M+H-H2O]+ 228.150080 147.0
[M+HCOO]- 290.151021 182.7
[M+CH3COO]- 304.166671 215.5
[M+Na-2H]- 266.127486 164.2
[M]+ 245.15227142 158.6
[M]- 245.15336858 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.