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]+ 261.134596 164.1
[M+Na]+ 283.116538 169.2
[M-H]- 259.120044 166.1
[M+NH4]+ 278.161143 177.5
[M+K]+ 299.090478 166.7
[M+H-H2O]+ 243.124580 149.6
[M+HCOO]- 305.125521 185.0
[M+CH3COO]- 319.141171 212.6
[M+Na-2H]- 281.101986 167.6
[M]+ 260.12677142 157.7
[M]- 260.12786858 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.