CID 17651

Disperse red 19

Structural Information

Molecular Formula
C16H18N4O4
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CCO)CCO
InChI
InChI=1S/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2
InChIKey
GHDZRIQTRDZCMV-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

668
Patents

330.1328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 172.4
[M+Na]+ 353.12202 175.5
[M-H]- 329.12552 179.9
[M+NH4]+ 348.16662 184.4
[M+K]+ 369.09596 169.6
[M+H-H2O]+ 313.13006 167.1
[M+HCOO]- 375.13100 201.0
[M+CH3COO]- 389.14665 212.5
[M+Na-2H]- 351.10747 179.9
[M]+ 330.13225 172.6
[M]- 330.13335 172.6
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