CID 57559

1-aziridinepropionamide, n,n'-(methylenedi-p-phenylene)bis-

Structural Information

Molecular Formula
C23H28N4O2
SMILES
C1CN1CCC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)CCN4CC4
InChI
InChI=1S/C23H28N4O2/c28-22(9-11-26-13-14-26)24-20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)25-23(29)10-12-27-15-16-27/h1-8H,9-17H2,(H,24,28)(H,25,29)
InChIKey
AFJNUAGVGAAHGZ-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-[4-[[4-[3-(aziridin-1-yl)propanoylamino]phenyl]methyl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 168.4
[M+Na]+ 415.21044 180.7
[M+NH4]+ 410.25504 174.8
[M+K]+ 431.18438 178.1
[M-H]- 391.21394 185.0
[M+Na-2H]- 413.19589 181.0
[M]+ 392.22067 176.6
[M]- 392.22177 176.6
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.