CID 113130

Einecs 264-008-8

Structural Information

Molecular Formula
C24H33N3O3
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C24H33N3O3/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(28)22(19-20)26-25-21-15-12-13-16-23(21)27(29)30/h12-13,15-19,28H,2-11,14H2,1H3
InChIKey
HBILSJNKFHVBOX-UHFFFAOYSA-N
Compound name
4-dodecyl-2-[(2-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

411.2522 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.25948 205.4
[M+Na]+ 434.24142 207.4
[M-H]- 410.24492 211.8
[M+NH4]+ 429.28602 215.0
[M+K]+ 450.21536 198.4
[M+H-H2O]+ 394.24946 199.1
[M+HCOO]- 456.25040 231.0
[M+CH3COO]- 470.26605 229.8
[M+Na-2H]- 432.22687 208.2
[M]+ 411.25165 208.7
[M]- 411.25275 208.7
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