CID 152165

3-hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole

Structural Information

Molecular Formula
C12H12N4O
SMILES
CC1=CC=CN2C1=NC3=C2NCC(=C3C)N=O
InChI
InChI=1S/C12H12N4O/c1-7-4-3-5-16-11(7)14-10-8(2)9(15-17)6-13-12(10)16/h3-5,13H,6H2,1-2H3
InChIKey
BDPJYXFEVNLYOP-UHFFFAOYSA-N
Compound name
6,10-dimethyl-5-nitroso-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9258
References

0
Patents

228.1011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 149.7
[M+Na]+ 251.09032 161.7
[M-H]- 227.09382 152.3
[M+NH4]+ 246.13492 168.1
[M+K]+ 267.06426 156.9
[M+H-H2O]+ 211.09836 141.5
[M+HCOO]- 273.09930 171.1
[M+CH3COO]- 287.11495 162.8
[M+Na-2H]- 249.07577 157.2
[M]+ 228.10055 152.1
[M]- 228.10165 152.1
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

No patent data available for this compound.