CID 9589076

Brn 4830365

Structural Information

Molecular Formula
C24H27N5O3
SMILES
CCCCCOC1=C(C=C(C=C1)/C(=N\N=C\C2=NC=CN2CC3=CC=CC=C3)/C)[N+](=O)[O-]
InChI
InChI=1S/C24H27N5O3/c1-3-4-8-15-32-23-12-11-21(16-22(23)29(30)31)19(2)27-26-17-24-25-13-14-28(24)18-20-9-6-5-7-10-20/h5-7,9-14,16-17H,3-4,8,15,18H2,1-2H3/b26-17+,27-19-
InChIKey
NIWYYUHTESLHMU-UUIGGNFLSA-N
Compound name
(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(3-nitro-4-pentoxyphenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.2114 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21868 205.5
[M+Na]+ 456.20062 217.9
[M+NH4]+ 451.24522 210.7
[M+K]+ 472.17456 213.9
[M-H]- 432.20412 212.3
[M+Na-2H]- 454.18607 213.6
[M]+ 433.21085 208.8
[M]- 433.21195 208.8
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.