CID 3063462

Brn 3343367

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCCC(C(=O)NC(C#N)C1=CC=CC=C1)N(C)C
InChI
InChI=1S/C15H21N3O/c1-4-8-14(18(2)3)15(19)17-13(11-16)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8H2,1-3H3,(H,17,19)
InChIKey
UUQPELYCSNYIOA-UHFFFAOYSA-N
Compound name
N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 168.0
[M+Na]+ 282.15768 173.0
[M-H]- 258.16118 171.2
[M+NH4]+ 277.20228 182.5
[M+K]+ 298.13162 171.3
[M+H-H2O]+ 242.16572 153.7
[M+HCOO]- 304.16666 186.7
[M+CH3COO]- 318.18231 216.6
[M+Na-2H]- 280.14313 168.5
[M]+ 259.16791 163.1
[M]- 259.16901 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.