CID 103554

Acetamide, n-(2-((2,6-dicyano-4-nitrophenyl)azo)-5-((2,3-dihydroxypropyl)ethylamino)phenyl)-

Structural Information

Molecular Formula
C21H21N7O5
SMILES
CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C21H21N7O5/c1-3-27(11-18(31)12-29)16-4-5-19(20(8-16)24-13(2)30)25-26-21-14(9-22)6-17(28(32)33)7-15(21)10-23/h4-8,18,29,31H,3,11-12H2,1-2H3,(H,24,30)
InChIKey
WGGMGCJXXYYGKF-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.16043 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.167706 215.0
[M+Na]+ 474.149648 219.2
[M-H]- 450.153154 218.4
[M+NH4]+ 469.194253 218.4
[M+K]+ 490.123588 214.9
[M+H-H2O]+ 434.157690 199.4
[M+HCOO]- 496.158631 227.4
[M+CH3COO]- 510.174281 252.0
[M+Na-2H]- 472.135096 212.0
[M]+ 451.15988142 206.1
[M]- 451.16097858 206.1
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

patents stripe