CID 61215

Aziridyl benzoquinone

Structural Information

Molecular Formula
C16H22N2O6
SMILES
COCCOC1=C(C(=O)C(=C(C1=O)N2CC2)OCCOC)N3CC3
InChI
InChI=1S/C16H22N2O6/c1-21-7-9-23-15-11(17-3-4-17)14(20)16(24-10-8-22-2)12(13(15)19)18-5-6-18/h3-10H2,1-2H3
InChIKey
ASWYYIAZATTZLB-UHFFFAOYSA-N
Compound name
2,5-bis(aziridin-1-yl)-3,6-bis(2-methoxyethoxy)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

3
Patents

338.1478 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15508 156.3
[M+Na]+ 361.13702 168.5
[M+NH4]+ 356.18162 161.9
[M+K]+ 377.11096 167.8
[M-H]- 337.14052 169.5
[M+Na-2H]- 359.12247 165.4
[M]+ 338.14725 163.5
[M]- 338.14835 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe