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
3
Annotation Hits

0
References

16
Patents

369.20523 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.212506 211.4
[M+Na]+ 392.194448 214.6
[M-H]- 368.197954 217.0
[M+NH4]+ 387.239053 205.8
[M+K]+ 408.168388 210.4
[M+H-H2O]+ 352.202490 205.0
[M+HCOO]- 414.203431 221.2
[M+CH3COO]- 428.219081 232.8
[M+Na-2H]- 390.179896 203.0
[M]+ 369.20468142 216.6
[M]- 369.20577858 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