CID 3018839

79542-46-4

Structural Information

Molecular Formula
C23H21Cl2N5O5
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)NCC(COC3=CC=CC=C3)O
InChI
InChI=1S/C23H21Cl2N5O5/c1-14(31)27-22-11-21(26-12-16(32)13-35-17-5-3-2-4-6-17)19(25)10-23(22)29-28-20-8-7-15(30(33)34)9-18(20)24/h2-11,16,26,32H,12-13H2,1H3,(H,27,31)
InChIKey
AQGDRHUAYBVPCK-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[(2-chloro-4-nitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.092 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.09928 220.6
[M+Na]+ 540.08122 223.3
[M-H]- 516.08472 229.8
[M+NH4]+ 535.12582 225.8
[M+K]+ 556.05516 215.1
[M+H-H2O]+ 500.08926 215.2
[M+HCOO]- 562.09020 238.4
[M+CH3COO]- 576.10585 246.2
[M+Na-2H]- 538.06667 223.3
[M]+ 517.09145 225.3
[M]- 517.09255 225.3
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.