CID 18516

Disperse red 13

Structural Information

Molecular Formula
C16H17ClN4O3
SMILES
CCN(CCO)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3
InChIKey
FEJPWLNPOFOBSP-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1131
Patents

348.0989 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10618 180.6
[M+Na]+ 371.08812 185.7
[M-H]- 347.09162 189.3
[M+NH4]+ 366.13272 193.7
[M+K]+ 387.06206 178.4
[M+H-H2O]+ 331.09616 176.3
[M+HCOO]- 393.09710 205.8
[M+CH3COO]- 407.11275 217.6
[M+Na-2H]- 369.07357 186.6
[M]+ 348.09835 184.0
[M]- 348.09945 184.0
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