CID 135666486

Einecs 271-332-3

Structural Information

Molecular Formula
C20H17N5O6
SMILES
CC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=CC(=CC(=C3O)NC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C20H17N5O6/c1-10(26)21-14-5-3-4-12-6-7-17(28)19(18(12)14)24-23-16-9-13(25(30)31)8-15(20(16)29)22-11(2)27/h3-9,28-29H,1-2H3,(H,21,26)(H,22,27)
InChIKey
LAESNCGSUIZTJV-UHFFFAOYSA-N
Compound name
N-[8-[(3-acetamido-2-hydroxy-5-nitrophenyl)diazenyl]-7-hydroxynaphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.1179 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12518 191.8
[M+Na]+ 446.10712 195.8
[M-H]- 422.11062 199.6
[M+NH4]+ 441.15172 200.1
[M+K]+ 462.08106 189.8
[M+H-H2O]+ 406.11516 186.1
[M+HCOO]- 468.11610 217.3
[M+CH3COO]- 482.13175 232.6
[M+Na-2H]- 444.09257 197.9
[M]+ 423.11735 191.6
[M]- 423.11845 191.6
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.