CID 6510191

Brn 4832535

Structural Information

Molecular Formula
C26H34N4O6
SMILES
CCCCCOC1=C(C=C(C=C1)/C(=N\N=C(/C2=CC(=C(C=C2)OCCCCC)[N+](=O)[O-])\C)/C)[N+](=O)[O-]
InChI
InChI=1S/C26H34N4O6/c1-5-7-9-15-35-25-13-11-21(17-23(25)29(31)32)19(3)27-28-20(4)22-12-14-26(24(18-22)30(33)34)36-16-10-8-6-2/h11-14,17-18H,5-10,15-16H2,1-4H3/b27-19-,28-20-
InChIKey
ZDZVZGJJJRKEGB-RSSRHXQMSA-N
Compound name
(Z)-1-(3-nitro-4-pentoxyphenyl)-N-[(Z)-1-(3-nitro-4-pentoxyphenyl)ethylideneamino]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.24783 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.25511 231.5
[M+Na]+ 521.23705 245.0
[M-H]- 497.24055 235.8
[M+NH4]+ 516.28165 242.0
[M+K]+ 537.21099 237.9
[M+H-H2O]+ 481.24509 224.8
[M+HCOO]- 543.24603 249.3
[M+CH3COO]- 557.26168 241.6
[M+Na-2H]- 519.22250 228.9
[M]+ 498.24728 222.0
[M]- 498.24838 222.0
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.