CID 25159

Brn 1325353

Structural Information

Molecular Formula
C16H28N4O2
SMILES
C1CC(CCC1CNC(=O)CN2CC2)CNC(=O)CN3CC3
InChI
InChI=1S/C16H28N4O2/c21-15(11-19-5-6-19)17-9-13-1-2-14(4-3-13)10-18-16(22)12-20-7-8-20/h13-14H,1-12H2,(H,17,21)(H,18,22)
InChIKey
QWKFWCZPALFOES-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-N-[[4-[[[2-(aziridin-1-yl)acetyl]amino]methyl]cyclohexyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22122 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22850 184.0
[M+Na]+ 331.21044 186.5
[M-H]- 307.21394 189.4
[M+NH4]+ 326.25504 185.1
[M+K]+ 347.18438 182.4
[M+H-H2O]+ 291.21848 176.0
[M+HCOO]- 353.21942 199.2
[M+CH3COO]- 367.23507 217.6
[M+Na-2H]- 329.19589 182.5
[M]+ 308.22067 184.0
[M]- 308.22177 184.0
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.