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

82
Patents

310.1066 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 169.3
[M+Na]+ 333.09582 173.5
[M-H]- 309.09932 178.4
[M+NH4]+ 328.14042 182.8
[M+K]+ 349.06976 167.1
[M+H-H2O]+ 293.10386 164.3
[M+HCOO]- 355.10480 198.5
[M+CH3COO]- 369.12045 211.0
[M+Na-2H]- 331.08127 175.7
[M]+ 310.10605 167.9
[M]- 310.10715 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