CID 360968

32082-45-4

Structural Information

Molecular Formula
C20H22N2O10
SMILES
C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=C(C=C3)[N+](=O)[O-])OCCO1
InChI
InChI=1S/C20H22N2O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2
InChIKey
JLRXOTNWTNNRCW-UHFFFAOYSA-N
Compound name
11,24-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

450.12744 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.13472 198.0
[M+Na]+ 473.11666 197.3
[M-H]- 449.12016 204.9
[M+NH4]+ 468.16126 194.4
[M+K]+ 489.09060 194.9
[M+H-H2O]+ 433.12470 201.7
[M+HCOO]- 495.12564 207.4
[M+CH3COO]- 509.14129 211.7
[M+Na-2H]- 471.10211 208.5
[M]+ 450.12689 192.5
[M]- 450.12799 192.5
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

patents stripe