CID 112895

62637-98-3

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

1
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 166.5
[M+Na]+ 313.09475 181.8
[M+NH4]+ 308.13935 175.7
[M+K]+ 329.06869 172.7
[M-H]- 289.09825 173.6
[M+Na-2H]- 311.08020 177.3
[M]+ 290.10498 170.8
[M]- 290.10608 170.8
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