CID 75756

2587-42-0

Structural Information

Molecular Formula
C24H34N2O3
SMILES
CCCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCCC)[O-]
InChI
InChI=1S/C24H34N2O3/c1-3-5-7-9-19-28-23-15-11-21(12-16-23)25-26(27)22-13-17-24(18-14-22)29-20-10-8-6-4-2/h11-18H,3-10,19-20H2,1-2H3
InChIKey
GWRSINRMEBHRIO-UHFFFAOYSA-N
Compound name
(4-hexoxyphenyl)-(4-hexoxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

398.25696 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 204.5
[M+Na]+ 421.24618 206.3
[M-H]- 397.24968 210.6
[M+NH4]+ 416.29078 214.8
[M+K]+ 437.22012 197.8
[M+H-H2O]+ 381.25422 198.4
[M+HCOO]- 443.25516 229.0
[M+CH3COO]- 457.27081 224.7
[M+Na-2H]- 419.23163 207.3
[M]+ 398.25641 208.9
[M]- 398.25751 208.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe