CID 112301

69815-56-1

Structural Information

Molecular Formula
C24H17N5O7
SMILES
COC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C24H17N5O7/c1-36-17-9-10-20(21(13-17)29(34)35)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,30H,1H3,(H,25,31)
InChIKey
MQAMWDWKDQDPIQ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.1128 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.12008 213.4
[M+Na]+ 510.10202 227.1
[M+NH4]+ 505.14662 218.2
[M+K]+ 526.07596 225.1
[M-H]- 486.10552 223.0
[M+Na-2H]- 508.08747 221.1
[M]+ 487.11225 217.6
[M]- 487.11335 217.6
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.