CID 135666393

4325-96-6

Structural Information

Molecular Formula
C18H14N4O5
SMILES
CC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C18H14N4O5/c1-10(23)19-14-4-2-3-11-5-8-15(24)18(17(11)14)21-20-13-7-6-12(22(26)27)9-16(13)25/h2-9,24-25H,1H3,(H,19,23)
InChIKey
WXJPNGWOIIZTRA-UHFFFAOYSA-N
Compound name
N-[7-hydroxy-8-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.0964 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.103676 178.1
[M+Na]+ 389.085618 183.5
[M-H]- 365.089124 186.1
[M+NH4]+ 384.130223 189.2
[M+K]+ 405.059558 176.5
[M+H-H2O]+ 349.093660 173.1
[M+HCOO]- 411.094601 204.2
[M+CH3COO]- 425.110251 218.3
[M+Na-2H]- 387.071066 186.0
[M]+ 366.09585142 177.7
[M]- 366.09694858 177.7
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