CID 15249

Sri-5

Structural Information

Molecular Formula
C16H30N4O2
SMILES
C1CN1CC(=O)NCCCCCCCCNC(=O)CN2CC2
InChI
InChI=1S/C16H30N4O2/c21-15(13-19-9-10-19)17-7-5-3-1-2-4-6-8-18-16(22)14-20-11-12-20/h1-14H2,(H,17,21)(H,18,22)
InChIKey
ZDTDUAYRLVDHEJ-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-N-[8-[[2-(aziridin-1-yl)acetyl]amino]octyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

310.23688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24416 187.3
[M+Na]+ 333.22610 190.5
[M-H]- 309.22960 190.5
[M+NH4]+ 328.27070 188.7
[M+K]+ 349.20004 185.6
[M+H-H2O]+ 293.23414 179.0
[M+HCOO]- 355.23508 204.8
[M+CH3COO]- 369.25073 219.1
[M+Na-2H]- 331.21155 186.5
[M]+ 310.23633 192.6
[M]- 310.23743 192.6
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