CID 4260109

Disperse red 13 acrylate

Structural Information

Molecular Formula
C19H19ClN4O4
SMILES
CCN(CCOC(=O)C=C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C19H19ClN4O4/c1-3-19(25)28-12-11-23(4-2)15-7-5-14(6-8-15)21-22-18-10-9-16(24(26)27)13-17(18)20/h3,5-10,13H,1,4,11-12H2,2H3
InChIKey
MXXVPCCKVUYGHS-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

402.1095 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11678 196.5
[M+Na]+ 425.09872 200.9
[M-H]- 401.10222 206.2
[M+NH4]+ 420.14332 207.8
[M+K]+ 441.07266 193.8
[M+H-H2O]+ 385.10676 191.4
[M+HCOO]- 447.10770 221.7
[M+CH3COO]- 461.12335 229.4
[M+Na-2H]- 423.08417 200.4
[M]+ 402.10895 202.0
[M]- 402.11005 202.0
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