CID 94611

1-aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-((3-(2-methyl-1-aziridinyl)-1-oxopropoxy)methyl)-1,3-propanediyl ester

Structural Information

Molecular Formula
C24H41N3O6
SMILES
CCC(COC(=O)CCN1CC1C)(COC(=O)CCN2CC2C)COC(=O)CCN3CC3C
InChI
InChI=1S/C24H41N3O6/c1-5-24(15-31-21(28)6-9-25-12-18(25)2,16-32-22(29)7-10-26-13-19(26)3)17-33-23(30)8-11-27-14-20(27)4/h18-20H,5-17H2,1-4H3
InChIKey
YKEGOEUSKXVSPN-UHFFFAOYSA-N
Compound name
2,2-bis[3-(2-methylaziridin-1-yl)propanoyloxymethyl]butyl 3-(2-methylaziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

550
Patents

467.29953 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30681 231.1
[M+Na]+ 490.28875 231.4
[M-H]- 466.29225 233.8
[M+NH4]+ 485.33335 222.8
[M+K]+ 506.26269 227.0
[M+H-H2O]+ 450.29679 224.9
[M+HCOO]- 512.29773 238.0
[M+CH3COO]- 526.31338 243.5
[M+Na-2H]- 488.27420 221.9
[M]+ 467.29898 241.0
[M]- 467.30008 241.0
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