CID 95966

Hx-868

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CCC1CN1C(=O)C2=CC(=CC(=C2)C(=O)N3CC3CC)C(=O)N4CC4CC
InChI
InChI=1S/C21H27N3O3/c1-4-16-10-22(16)19(25)13-7-14(20(26)23-11-17(23)5-2)9-15(8-13)21(27)24-12-18(24)6-3/h7-9,16-18H,4-6,10-12H2,1-3H3
InChIKey
WTGFSHHTVSYGMF-UHFFFAOYSA-N
Compound name
[3,5-bis(2-ethylaziridine-1-carbonyl)phenyl]-(2-ethylaziridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

369.20523 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 128.8
[M+Na]+ 392.19445 139.7
[M+NH4]+ 387.23905 134.2
[M+K]+ 408.16839 142.0
[M-H]- 368.19795 144.2
[M+Na-2H]- 390.17990 140.6
[M]+ 369.20468 136.8
[M]- 369.20578 136.8
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