CID 17047

2425-85-6

Structural Information

Molecular Formula
C17H13N3O3
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3
InChIKey
ZLFVRXUOSPRRKQ-UHFFFAOYSA-N
Compound name
1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

22677
Patents

307.0957 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 166.8
[M+Na]+ 330.08492 173.9
[M-H]- 306.08842 176.1
[M+NH4]+ 325.12952 181.6
[M+K]+ 346.05886 166.1
[M+H-H2O]+ 290.09296 162.2
[M+HCOO]- 352.09390 194.5
[M+CH3COO]- 366.10955 207.7
[M+Na-2H]- 328.07037 176.1
[M]+ 307.09515 167.0
[M]- 307.09625 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe