CID 22447558

5-methyl-2-(5-methyl-1h-imidazole-2-carbonyl)-1h-imidazole

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=CN=C(N1)C(=O)C2=NC=C(N2)C
InChI
InChI=1S/C9H10N4O/c1-5-3-10-8(12-5)7(14)9-11-4-6(2)13-9/h3-4H,1-2H3,(H,10,12)(H,11,13)
InChIKey
RPHNOTDRBMNATD-UHFFFAOYSA-N
Compound name
bis(5-methyl-1H-imidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 140.0
[M+Na]+ 213.074678 150.5
[M-H]- 189.078184 140.3
[M+NH4]+ 208.119283 156.5
[M+K]+ 229.048618 146.5
[M+H-H2O]+ 173.082720 131.7
[M+HCOO]- 235.083661 160.1
[M+CH3COO]- 249.099311 152.5
[M+Na-2H]- 211.060126 142.6
[M]+ 190.08491142 139.6
[M]- 190.08600858 139.6
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