CID 103144

65072-53-9

Structural Information

Molecular Formula
C23H23N5O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)N(CCO)CCO)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H23N5O5/c29-14-12-27(13-15-30)20-10-11-21(26-25-18-6-8-19(9-7-18)28(32)33)22(16-20)24-23(31)17-4-2-1-3-5-17/h1-11,16,29-30H,12-15H2,(H,24,31)
InChIKey
UCOVGGMONFBUAO-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-hydroxyethyl)amino]-2-[(4-nitrophenyl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16992 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.177196 201.6
[M+Na]+ 472.159138 201.9
[M-H]- 448.162644 211.5
[M+NH4]+ 467.203743 207.5
[M+K]+ 488.133078 195.4
[M+H-H2O]+ 432.167180 193.8
[M+HCOO]- 494.168121 228.9
[M+CH3COO]- 508.183771 237.0
[M+Na-2H]- 470.144586 207.6
[M]+ 449.16937142 200.9
[M]- 449.17046858 200.9
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.