CID 44232

Brn 0925646

Structural Information

Molecular Formula
C13H16N4O2
SMILES
C1=CC=C(C=C1)NNC(=O)CCC(=O)NCCC#N
InChI
InChI=1S/C13H16N4O2/c14-9-4-10-15-12(18)7-8-13(19)17-16-11-5-2-1-3-6-11/h1-3,5-6,16H,4,7-8,10H2,(H,15,18)(H,17,19)
InChIKey
DWMGLKHRUKRNSJ-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-4-oxo-4-(2-phenylhydrazinyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 164.1
[M+Na]+ 283.11654 169.2
[M-H]- 259.12004 166.1
[M+NH4]+ 278.16114 177.5
[M+K]+ 299.09048 166.7
[M+H-H2O]+ 243.12458 149.6
[M+HCOO]- 305.12552 185.0
[M+CH3COO]- 319.14117 212.6
[M+Na-2H]- 281.10199 167.6
[M]+ 260.12677 157.7
[M]- 260.12787 157.7
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.