CID 585935

Nxrjhggpxncgdl-uhfffaoysa-n

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC1=C(N=C(C(=N1)C)CC(C2=CC=C(C=C2)[N+](=O)[O-])O)C
InChI
InChI=1S/C15H17N3O3/c1-9-10(2)17-14(11(3)16-9)8-15(19)12-4-6-13(7-5-12)18(20)21/h4-7,15,19H,8H2,1-3H3
InChIKey
NXRJHGGPXNCGDL-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.4
[M+Na]+ 310.116198 172.8
[M-H]- 286.119704 168.9
[M+NH4]+ 305.160803 177.2
[M+K]+ 326.090138 164.8
[M+H-H2O]+ 270.124240 161.2
[M+HCOO]- 332.125181 185.6
[M+CH3COO]- 346.140831 196.6
[M+Na-2H]- 308.101646 170.2
[M]+ 287.12643142 165.0
[M]- 287.12752858 165.0
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

No patent data available for this compound.