CID 4649000

Schembl9073170

Structural Information

Molecular Formula
C18H17N3O
SMILES
CCOC1=CC=CC=C1N=NC2=CC=C(C3=CC=CC=C32)N
InChI
InChI=1S/C18H17N3O/c1-2-22-18-10-6-5-9-17(18)21-20-16-12-11-15(19)13-7-3-4-8-14(13)16/h3-12H,2,19H2,1H3
InChIKey
JALDXWRUEFLKMF-UHFFFAOYSA-N
Compound name
4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

291.13718 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 166.2
[M+Na]+ 314.12640 173.8
[M-H]- 290.12990 176.0
[M+NH4]+ 309.17100 182.9
[M+K]+ 330.10034 169.6
[M+H-H2O]+ 274.13444 156.7
[M+HCOO]- 336.13538 194.7
[M+CH3COO]- 350.15103 215.0
[M+Na-2H]- 312.11185 174.3
[M]+ 291.13663 167.8
[M]- 291.13773 167.8
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