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
1
Annotation Hits

0
References

12
Patents

328.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16081 175.9
[M+Na]+ 351.14275 180.2
[M-H]- 327.14625 185.0
[M+NH4]+ 346.18735 189.1
[M+K]+ 367.11669 174.3
[M+H-H2O]+ 311.15079 170.5
[M+HCOO]- 373.15173 205.4
[M+CH3COO]- 387.16738 217.1
[M+Na-2H]- 349.12820 182.2
[M]+ 328.15298 177.3
[M]- 328.15408 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