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 208.2
[M+Na]+ 510.10202 209.1
[M-H]- 486.10552 218.8
[M+NH4]+ 505.14662 212.3
[M+K]+ 526.07596 198.7
[M+H-H2O]+ 470.11006 203.9
[M+HCOO]- 532.11100 233.5
[M+CH3COO]- 546.12665 236.5
[M+Na-2H]- 508.08747 217.1
[M]+ 487.11225 206.8
[M]- 487.11335 206.8
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.