CID 3463796

Disperse orange 3 acrylamide

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C=CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c1-2-15(20)16-11-3-5-12(6-4-11)17-18-13-7-9-14(10-8-13)19(21)22/h2-10H,1H2,(H,16,20)
InChIKey
UFJASOUPUMZANE-UHFFFAOYSA-N
Compound name
N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

296.09094 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 164.5
[M+Na]+ 319.08016 169.4
[M-H]- 295.08366 173.7
[M+NH4]+ 314.12476 178.6
[M+K]+ 335.05410 162.7
[M+H-H2O]+ 279.08820 159.5
[M+HCOO]- 341.08914 195.1
[M+CH3COO]- 355.10479 207.3
[M+Na-2H]- 317.06561 172.6
[M]+ 296.09039 163.3
[M]- 296.09149 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe