CID 110020

68310-09-8

Structural Information

Molecular Formula
C28H36N2O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C28H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-23-17-20-25(21-18-23)29-30-28-26-16-13-12-15-24(26)19-22-27(28)31/h12-13,15-22,31H,2-11,14H2,1H3
InChIKey
JVKRPTBYXCEBRG-UHFFFAOYSA-N
Compound name
1-[(4-dodecylphenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

416.28278 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.29006 207.9
[M+Na]+ 439.27200 211.3
[M-H]- 415.27550 214.8
[M+NH4]+ 434.31660 219.1
[M+K]+ 455.24594 204.3
[M+H-H2O]+ 399.28004 196.7
[M+HCOO]- 461.28098 230.9
[M+CH3COO]- 475.29663 237.6
[M+Na-2H]- 437.25745 210.5
[M]+ 416.28223 212.4
[M]- 416.28333 212.4
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

patents stripe