CID 3063461

100951-55-1

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCN(CC)C(C)C(=O)NC(C#N)C1=CC=CC=C1
InChI
InChI=1S/C15H21N3O/c1-4-18(5-2)12(3)15(19)17-14(11-16)13-9-7-6-8-10-13/h6-10,12,14H,4-5H2,1-3H3,(H,17,19)
InChIKey
PHJPBXDBGUPVDE-UHFFFAOYSA-N
Compound name
N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 168.0
[M+Na]+ 282.157678 173.0
[M-H]- 258.161184 171.2
[M+NH4]+ 277.202283 182.5
[M+K]+ 298.131618 171.3
[M+H-H2O]+ 242.165720 153.7
[M+HCOO]- 304.166661 186.7
[M+CH3COO]- 318.182311 216.6
[M+Na-2H]- 280.143126 168.5
[M]+ 259.16791142 163.1
[M]- 259.16900858 163.1
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.