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]+ 250.154996 158.6
[M+Na]+ 272.136938 161.6
[M-H]- 248.140444 161.3
[M+NH4]+ 267.181543 174.4
[M+K]+ 288.110878 159.6
[M+H-H2O]+ 232.144980 150.6
[M+HCOO]- 294.145921 183.7
[M+CH3COO]- 308.161571 201.1
[M+Na-2H]- 270.122386 163.0
[M]+ 249.14717142 157.6
[M]- 249.14826858 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.