CID 112795

Dtxsid90886471

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C17H20N4O3/c1-3-20(10-11-22)16-8-9-17(13(2)12-16)19-18-14-4-6-15(7-5-14)21(23)24/h4-9,12,22H,3,10-11H2,1-2H3
InChIKey
VIPATEVXXXQLLF-UHFFFAOYSA-N
Compound name
2-[N-ethyl-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

328.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 175.9
[M+Na]+ 351.142748 180.2
[M-H]- 327.146254 185.0
[M+NH4]+ 346.187353 189.1
[M+K]+ 367.116688 174.3
[M+H-H2O]+ 311.150790 170.5
[M+HCOO]- 373.151731 205.4
[M+CH3COO]- 387.167381 217.1
[M+Na-2H]- 349.128196 182.2
[M]+ 328.15298142 177.3
[M]- 328.15407858 177.3
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