CID 58478

101502-01-6

Structural Information

Molecular Formula
C22H28N6O4
SMILES
C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C(=O)NNCCC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C22H28N6O4/c29-19(23-15-17-7-3-1-4-8-17)11-13-25-27-21(31)22(32)28-26-14-12-20(30)24-16-18-9-5-2-6-10-18/h1-10,25-26H,11-16H2,(H,23,29)(H,24,30)(H,27,31)(H,28,32)
InChIKey
VVSRWRWIBRDYPQ-UHFFFAOYSA-N
Compound name
N-benzyl-3-[2-[2-[2-[3-(benzylamino)-3-oxopropyl]hydrazinyl]-2-oxoacetyl]hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2172 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.22448 206.7
[M+Na]+ 463.20642 209.8
[M+NH4]+ 458.25102 208.6
[M+K]+ 479.18036 205.9
[M-H]- 439.20992 209.7
[M+Na-2H]- 461.19187 210.5
[M]+ 440.21665 206.9
[M]- 440.21775 206.9
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.