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]+ 312.170676 173.4
[M+Na]+ 334.152618 175.5
[M-H]- 310.156124 178.8
[M+NH4]+ 329.197223 186.1
[M+K]+ 350.126558 171.7
[M+H-H2O]+ 294.160660 163.9
[M+HCOO]- 356.161601 198.2
[M+CH3COO]- 370.177251 212.0
[M+Na-2H]- 332.138066 178.2
[M]+ 311.16285142 171.6
[M]- 311.16394858 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.