CID 3047152

Brn 0931347

Structural Information

Molecular Formula
C18H21N3O2
SMILES
C1=CC=C(C=C1)CNC(=O)CCCC(=O)NNC2=CC=CC=C2
InChI
InChI=1S/C18H21N3O2/c22-17(19-14-15-8-3-1-4-9-15)12-7-13-18(23)21-20-16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-14H2,(H,19,22)(H,21,23)
InChIKey
CQLVWATZCHQRRO-UHFFFAOYSA-N
Compound name
N-benzyl-5-oxo-5-(2-phenylhydrazinyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 173.4
[M+Na]+ 334.15262 175.5
[M-H]- 310.15612 178.8
[M+NH4]+ 329.19722 186.1
[M+K]+ 350.12656 171.7
[M+H-H2O]+ 294.16066 163.9
[M+HCOO]- 356.16160 198.2
[M+CH3COO]- 370.17725 212.0
[M+Na-2H]- 332.13807 178.2
[M]+ 311.16285 171.6
[M]- 311.16395 171.6
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.