CID 393542

Nsc695604

Structural Information

Molecular Formula
C10H10N8O4
SMILES
C1N2C3C4N(COCN4C5=NON=C5N3CO1)C6=NON=C62
InChI
InChI=1S/C10H10N8O4/c1-15-5-6(12-21-11-5)17-3-20-4-18-8-7(13-22-14-8)16(2-19-1)9(15)10(17)18/h9-10H,1-4H2
InChIKey
UUZPPOIOYNEABI-UHFFFAOYSA-N
Compound name
4,9,14,19-tetraoxa-1,3,5,7,11,13,15,17-octazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-2,5,12,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0825 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08978 163.5
[M+Na]+ 329.07172 173.9
[M-H]- 305.07522 162.2
[M+NH4]+ 324.11632 170.1
[M+K]+ 345.04566 173.6
[M+H-H2O]+ 289.07976 152.5
[M+HCOO]- 351.08070 165.3
[M+CH3COO]- 365.09635 171.6
[M+Na-2H]- 327.05717 166.3
[M]+ 306.08195 167.0
[M]- 306.08305 167.0
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.