CID 95966

Aziridine, 1,1',1''-(1,3,5-benzenetriyltricarbonyl)tris(2-ethyl-

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
1
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 211.4
[M+Na]+ 392.19445 214.6
[M-H]- 368.19795 217.0
[M+NH4]+ 387.23905 205.8
[M+K]+ 408.16839 210.4
[M+H-H2O]+ 352.20249 205.0
[M+HCOO]- 414.20343 221.2
[M+CH3COO]- 428.21908 232.8
[M+Na-2H]- 390.17990 203.0
[M]+ 369.20468 216.6
[M]- 369.20578 216.6
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