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]+ 291.11281 165.2
[M+Na]+ 313.09475 172.7
[M-H]- 289.09825 175.5
[M+NH4]+ 308.13935 182.1
[M+K]+ 329.06869 169.4
[M+H-H2O]+ 273.10279 155.8
[M+HCOO]- 335.10373 192.8
[M+CH3COO]- 349.11938 210.9
[M+Na-2H]- 311.08020 173.4
[M]+ 290.10498 168.0
[M]- 290.10608 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