CID 44151995

110531-92-5

Structural Information

Molecular Formula
C16H28N4O5
SMILES
CC(CCNC(=O)OC1C(O1)OC(=O)NCCC(C)N2CC2)N3CC3
InChI
InChI=1S/C16H28N4O5/c1-11(19-7-8-19)3-5-17-15(21)24-13-14(23-13)25-16(22)18-6-4-12(2)20-9-10-20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,18,22)
InChIKey
MDIRWISBSQWUGP-UHFFFAOYSA-N
Compound name
[3-[3-(aziridin-1-yl)butylcarbamoyloxy]oxiran-2-yl] N-[3-(aziridin-1-yl)butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.20596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21324 200.1
[M+Na]+ 379.19518 200.7
[M-H]- 355.19868 205.3
[M+NH4]+ 374.23978 194.4
[M+K]+ 395.16912 199.0
[M+H-H2O]+ 339.20322 194.1
[M+HCOO]- 401.20416 211.0
[M+CH3COO]- 415.21981 231.2
[M+Na-2H]- 377.18063 195.2
[M]+ 356.20541 206.8
[M]- 356.20651 206.8
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

No patent data available for this compound.