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

168
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

literature stripe

Patent stripe

patents stripe