CID 112737

Einecs 263-242-8

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)O
InChI
InChI=1S/C16H13N3O/c17-15-8-9-16(14-10-12(20)6-7-13(14)15)19-18-11-4-2-1-3-5-11/h1-10,20H,17H2
InChIKey
ZWXQXQSSUBQHNL-UHFFFAOYSA-N
Compound name
5-amino-8-phenyldiazenylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

263.10587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 156.7
[M+Na]+ 286.09509 164.8
[M-H]- 262.09859 165.6
[M+NH4]+ 281.13969 173.9
[M+K]+ 302.06903 160.3
[M+H-H2O]+ 246.10313 148.1
[M+HCOO]- 308.10407 184.5
[M+CH3COO]- 322.11972 169.5
[M+Na-2H]- 284.08054 165.6
[M]+ 263.10532 155.9
[M]- 263.10642 155.9
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