CID 81913

1-aziridinecarboxamide, n,n'-(methylenedi-4,1-phenylene)bis-

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

418
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 185.4
[M+Na]+ 359.14785 190.9
[M-H]- 335.15135 194.3
[M+NH4]+ 354.19245 185.6
[M+K]+ 375.12179 185.8
[M+H-H2O]+ 319.15589 177.2
[M+HCOO]- 381.15683 205.1
[M+CH3COO]- 395.17248 192.2
[M+Na-2H]- 357.13330 186.7
[M]+ 336.15808 187.5
[M]- 336.15918 187.5
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