CID 4585870

Disperse red 17

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H20N4O4/c1-13-12-16(20(8-10-22)9-11-23)6-7-17(13)19-18-14-2-4-15(5-3-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3
InChIKey
ADCWDMYESTYBBN-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2219
Patents

344.14847 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 177.8
[M+Na]+ 367.13769 181.3
[M-H]- 343.14119 185.5
[M+NH4]+ 362.18229 189.5
[M+K]+ 383.11163 175.3
[M+H-H2O]+ 327.14573 172.4
[M+HCOO]- 389.14667 205.9
[M+CH3COO]- 403.16232 216.6
[M+Na-2H]- 365.12314 184.0
[M]+ 344.14792 178.6
[M]- 344.14902 178.6
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