CID 27654

16044-74-9

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1CN1C(=O)C2=CC(=CC(=C2)C(=O)N3CC3)C(=O)N4CC4
InChI
InChI=1S/C15H15N3O3/c19-13(16-1-2-16)10-7-11(14(20)17-3-4-17)9-12(8-10)15(21)18-5-6-18/h7-9H,1-6H2
InChIKey
LSNKTNHLGDDMLJ-UHFFFAOYSA-N
Compound name
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.11133 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 197.6
[M+Na]+ 308.10055 201.0
[M-H]- 284.10405 203.4
[M+NH4]+ 303.14515 193.7
[M+K]+ 324.07449 198.3
[M+H-H2O]+ 268.10859 191.1
[M+HCOO]- 330.10953 209.0
[M+CH3COO]- 344.12518 219.0
[M+Na-2H]- 306.08600 192.4
[M]+ 285.11078 200.4
[M]- 285.11188 200.4
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