CID 111410

68901-08-6

Structural Information

Molecular Formula
C19H22N6O8
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)NCC(COC)O
InChI
InChI=1S/C19H22N6O8/c1-11(26)21-15-7-17(20-9-13(27)10-32-2)19(33-3)8-16(15)23-22-14-5-4-12(24(28)29)6-18(14)25(30)31/h4-8,13,20,27H,9-10H2,1-3H3,(H,21,26)
InChIKey
AQXNELWSQUVQKO-UHFFFAOYSA-N
Compound name
N-[2-[(2,4-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

462.1499 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15718 210.5
[M+Na]+ 485.13912 215.2
[M+NH4]+ 480.18372 218.3
[M+K]+ 501.11306 222.5
[M-H]- 461.14262 206.8
[M+Na-2H]- 483.12457 205.1
[M]+ 462.14935 212.0
[M]- 462.15045 212.0
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