CID 5468067

Nsc663664

Structural Information

Molecular Formula
C28H30N4O4
SMILES
C1=CC=C2N(C=C(C2=C1)/C=C/[N+](=O)[O-])CCCCCCCCN3C4=CC=CC=C4C(=C3)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C28H30N4O4/c33-31(34)19-15-23-21-29(27-13-7-5-11-25(23)27)17-9-3-1-2-4-10-18-30-22-24(16-20-32(35)36)26-12-6-8-14-28(26)30/h5-8,11-16,19-22H,1-4,9-10,17-18H2/b19-15+,20-16+
InChIKey
AOHDCEYPGMZIKQ-MXWIWYRXSA-N
Compound name
3-[(E)-2-nitroethenyl]-1-[8-[3-[(E)-2-nitroethenyl]indol-1-yl]octyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.2267 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.23398 228.5
[M+Na]+ 509.21592 231.3
[M-H]- 485.21942 234.0
[M+NH4]+ 504.26052 235.9
[M+K]+ 525.18986 215.4
[M+H-H2O]+ 469.22396 226.0
[M+HCOO]- 531.22490 249.6
[M+CH3COO]- 545.24055 228.1
[M+Na-2H]- 507.20137 232.0
[M]+ 486.22615 230.5
[M]- 486.22725 230.5
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

No patent data available for this compound.