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
3
Annotation Hits

0
References

427
Patents

336.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.165906 185.4
[M+Na]+ 359.147848 190.9
[M-H]- 335.151354 194.3
[M+NH4]+ 354.192453 185.6
[M+K]+ 375.121788 185.8
[M+H-H2O]+ 319.155890 177.2
[M+HCOO]- 381.156831 205.1
[M+CH3COO]- 395.172481 192.2
[M+Na-2H]- 357.133296 186.7
[M]+ 336.15808142 187.5
[M]- 336.15917858 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