CID 117968

Benzenamine, n-((methoxyphenyl)methylene)-4-(phenylazo)-

Structural Information

Molecular Formula
C20H17N3O
SMILES
COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C20H17N3O/c1-24-20-13-7-16(8-14-20)15-21-17-9-11-19(12-10-17)23-22-18-5-3-2-4-6-18/h2-15H,1H3
InChIKey
HLJXCFUTNROPTR-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-(4-phenyldiazenylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

315.13718 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 173.9
[M+Na]+ 338.12640 180.3
[M-H]- 314.12990 187.2
[M+NH4]+ 333.17100 188.7
[M+K]+ 354.10034 176.2
[M+H-H2O]+ 298.13444 162.7
[M+HCOO]- 360.13538 205.4
[M+CH3COO]- 374.15103 219.7
[M+Na-2H]- 336.11185 182.2
[M]+ 315.13663 176.3
[M]- 315.13773 176.3
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