CID 12926

Nsc 160168

Structural Information

Molecular Formula
C16H30N4O2
SMILES
C1CN1CCC(=O)NCCCCCCNC(=O)CCN2CC2
InChI
InChI=1S/C16H30N4O2/c21-15(5-9-19-11-12-19)17-7-3-1-2-4-8-18-16(22)6-10-20-13-14-20/h1-14H2,(H,17,21)(H,18,22)
InChIKey
ZONJGAVTEZMJMY-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.23688 Da
Monoisotopic Mass

-0.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.