CID 112895

1-naphthalenol, 2-(phenylazo)-, acetate (ester)

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC(=O)OC1=C(C=CC2=CC=CC=C21)N=NC3=CC=CC=C3
InChI
InChI=1S/C18H14N2O2/c1-13(21)22-18-16-10-6-5-7-14(16)11-12-17(18)20-19-15-8-3-2-4-9-15/h2-12H,1H3
InChIKey
FWOUKWJGRCTXND-UHFFFAOYSA-N
Compound name
(2-phenyldiazenylnaphthalen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.10553 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 165.2
[M+Na]+ 313.094748 172.7
[M-H]- 289.098254 175.5
[M+NH4]+ 308.139353 182.1
[M+K]+ 329.068688 169.4
[M+H-H2O]+ 273.102790 155.8
[M+HCOO]- 335.103731 192.8
[M+CH3COO]- 349.119381 210.9
[M+Na-2H]- 311.080196 173.4
[M]+ 290.10498142 168.0
[M]- 290.10607858 168.0
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