CID 135666428

Einecs 245-277-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.0964 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10368 178.1
[M+Na]+ 389.08562 183.5
[M-H]- 365.08912 186.1
[M+NH4]+ 384.13022 189.2
[M+K]+ 405.05956 176.5
[M+H-H2O]+ 349.09366 173.1
[M+HCOO]- 411.09460 204.2
[M+CH3COO]- 425.11025 218.3
[M+Na-2H]- 387.07107 186.0
[M]+ 366.09585 177.7
[M]- 366.09695 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

No patent data available for this compound.