CID 128685

N-acetyl-2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole

Structural Information

Molecular Formula
C13H12N4O
SMILES
CC1=CC=CN2C1=NC3=C2N=C(C=C3)NC(=O)C
InChI
InChI=1S/C13H12N4O/c1-8-4-3-7-17-12(8)15-10-5-6-11(14-9(2)18)16-13(10)17/h3-7H,1-2H3,(H,14,16,18)
InChIKey
FZRWLIBASRVEFR-UHFFFAOYSA-N
Compound name
N-(10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

240.1011 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 153.0
[M+Na]+ 263.090318 164.4
[M-H]- 239.093824 155.7
[M+NH4]+ 258.134923 170.7
[M+K]+ 279.064258 159.7
[M+H-H2O]+ 223.098360 144.7
[M+HCOO]- 285.099301 174.6
[M+CH3COO]- 299.114951 165.8
[M+Na-2H]- 261.075766 160.7
[M]+ 240.10055142 156.2
[M]- 240.10164858 156.2
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.