CID 85458

16494-27-2

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)CCCCCCCCC=C
InChI
InChI=1S/C25H32N2O3/c1-3-5-6-7-8-9-10-11-12-25(28)30-24-19-15-22(16-20-24)27-26-21-13-17-23(18-14-21)29-4-2/h3,13-20H,1,4-12H2,2H3
InChIKey
RRJWBVYCQCURLH-UHFFFAOYSA-N
Compound name
[4-[(4-ethoxyphenyl)diazenyl]phenyl] undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.2413 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 204.1
[M+Na]+ 431.23052 207.1
[M-H]- 407.23402 211.7
[M+NH4]+ 426.27512 215.1
[M+K]+ 447.20446 202.9
[M+H-H2O]+ 391.23856 193.0
[M+HCOO]- 453.23950 229.8
[M+CH3COO]- 467.25515 235.3
[M+Na-2H]- 429.21597 205.2
[M]+ 408.24075 211.3
[M]- 408.24185 211.3
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