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]+ 450.17720 201.6
[M+Na]+ 472.15914 201.9
[M-H]- 448.16264 211.5
[M+NH4]+ 467.20374 207.5
[M+K]+ 488.13308 195.4
[M+H-H2O]+ 432.16718 193.8
[M+HCOO]- 494.16812 228.9
[M+CH3COO]- 508.18377 237.0
[M+Na-2H]- 470.14459 207.6
[M]+ 449.16937 200.9
[M]- 449.17047 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.