CID 4574980

Disperse orange 3 methacrylamide

Structural Information

Molecular Formula
C16H14N4O3
SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O3/c1-11(2)16(21)17-12-3-5-13(6-4-12)18-19-14-7-9-15(10-8-14)20(22)23/h3-10H,1H2,2H3,(H,17,21)
InChIKey
TZNAGCCEDCKZMV-UHFFFAOYSA-N
Compound name
2-methyl-N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

310.1066 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.113876 169.3
[M+Na]+ 333.095818 173.5
[M-H]- 309.099324 178.4
[M+NH4]+ 328.140423 182.8
[M+K]+ 349.069758 167.1
[M+H-H2O]+ 293.103860 164.3
[M+HCOO]- 355.104801 198.5
[M+CH3COO]- 369.120451 211.0
[M+Na-2H]- 331.081266 175.7
[M]+ 310.10605142 167.9
[M]- 310.10714858 167.9
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

patents stripe