CID 9578704

2-propylvaleric acid 2-benzylidenehydrazide

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCCC(CCC)C(=O)N/N=C/C1=CC=CC=C1
InChI
InChI=1S/C15H22N2O/c1-3-8-14(9-4-2)15(18)17-16-12-13-10-6-5-7-11-13/h5-7,10-12,14H,3-4,8-9H2,1-2H3,(H,17,18)/b16-12+
InChIKey
IGMPQULKTMYARM-FOWTUZBSSA-N
Compound name
N-[(E)-benzylideneamino]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 161.6
[M+Na]+ 269.16244 165.2
[M-H]- 245.16594 165.5
[M+NH4]+ 264.20704 178.7
[M+K]+ 285.13638 162.9
[M+H-H2O]+ 229.17048 153.8
[M+HCOO]- 291.17142 186.3
[M+CH3COO]- 305.18707 202.5
[M+Na-2H]- 267.14789 165.0
[M]+ 246.17267 162.6
[M]- 246.17377 162.6
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.