CID 5066485

Disperse red 1 acrylate

Structural Information

Molecular Formula
C19H20N4O4
SMILES
CCN(CCOC(=O)C=C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O4/c1-3-19(24)27-14-13-22(4-2)17-9-5-15(6-10-17)20-21-16-7-11-18(12-8-16)23(25)26/h3,5-12H,1,4,13-14H2,2H3
InChIKey
MOUZYIAKMYUILJ-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

132
Patents

368.14847 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 187.0
[M+Na]+ 391.13769 190.0
[M-H]- 367.14119 196.8
[M+NH4]+ 386.18229 198.6
[M+K]+ 407.11163 184.4
[M+H-H2O]+ 351.14573 180.7
[M+HCOO]- 413.14667 216.7
[M+CH3COO]- 427.16232 224.7
[M+Na-2H]- 389.12314 192.3
[M]+ 368.14792 189.6
[M]- 368.14902 189.6
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

No patent data available for this compound.