CID 81913

7417-99-4

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1CN1C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)N4CC4
InChI
InChI=1S/C19H20N4O2/c24-18(22-9-10-22)20-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)21-19(25)23-11-12-23/h1-8H,9-13H2,(H,20,24)(H,21,25)
InChIKey
XECQDYXJWMHGBI-UHFFFAOYSA-N
Compound name
N-[4-[[4-(aziridine-1-carbonylamino)phenyl]methyl]phenyl]aziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

326
Patents

336.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 158.0
[M+Na]+ 359.14785 170.9
[M+NH4]+ 354.19245 164.9
[M+K]+ 375.12179 168.9
[M-H]- 335.15135 174.7
[M+Na-2H]- 357.13330 171.2
[M]+ 336.15808 166.3
[M]- 336.15918 166.3
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

patents stripe