CID 44229

Brn 0920360

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CCCNC(=O)CCC(=O)NNC1=CC=CC=C1
InChI
InChI=1S/C13H19N3O2/c1-2-10-14-12(17)8-9-13(18)16-15-11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3,(H,14,17)(H,16,18)
InChIKey
WUHOEYYFPCANKZ-UHFFFAOYSA-N
Compound name
4-oxo-4-(2-phenylhydrazinyl)-N-propylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 158.6
[M+Na]+ 272.13694 161.6
[M-H]- 248.14044 161.3
[M+NH4]+ 267.18154 174.4
[M+K]+ 288.11088 159.6
[M+H-H2O]+ 232.14498 150.6
[M+HCOO]- 294.14592 183.7
[M+CH3COO]- 308.16157 201.1
[M+Na-2H]- 270.12239 163.0
[M]+ 249.14717 157.6
[M]- 249.14827 157.6
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.