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 197.5
[M+Na]+ 415.21044 201.3
[M-H]- 391.21394 205.6
[M+NH4]+ 410.25504 195.6
[M+K]+ 431.18438 195.6
[M+H-H2O]+ 375.21848 188.7
[M+HCOO]- 437.21942 216.0
[M+CH3COO]- 451.23507 231.3
[M+Na-2H]- 413.19589 197.3
[M]+ 392.22067 200.8
[M]- 392.22177 200.8
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.