CID 267275

1,2,4,11,13,14-hexaazacyclononadecane-3,12,15,19-tetrone

Structural Information

Molecular Formula
C13H24N6O4
SMILES
C1CCCNC(=O)NNC(=O)CCCC(=O)NNC(=O)NCC1
InChI
InChI=1S/C13H24N6O4/c20-10-6-5-7-11(21)17-19-13(23)15-9-4-2-1-3-8-14-12(22)18-16-10/h1-9H2,(H,16,20)(H,17,21)(H2,14,18,22)(H2,15,19,23)
InChIKey
ZBADPRCZBZRARF-UHFFFAOYSA-N
Compound name
1,2,4,11,13,14-hexazacyclononadecane-3,12,15,19-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1859 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19318 185.3
[M+Na]+ 351.17512 186.3
[M-H]- 327.17862 172.1
[M+NH4]+ 346.21972 182.9
[M+K]+ 367.14906 179.8
[M+H-H2O]+ 311.18316 179.0
[M+HCOO]- 373.18410 182.9
[M+CH3COO]- 387.19975 183.6
[M+Na-2H]- 349.16057 180.7
[M]+ 328.18535 162.5
[M]- 328.18645 162.5
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

No patent data available for this compound.