CID 86048882

Ns00133110

Structural Information

Molecular Formula
C12H12N4
SMILES
CC1=CC(=NC2=NC3=C(N12)C=C(C=C3)N)C
InChI
InChI=1S/C12H12N4/c1-7-5-8(2)16-11-6-9(13)3-4-10(11)15-12(16)14-7/h3-6H,13H2,1-2H3
InChIKey
UODWQNRVZZJBBZ-UHFFFAOYSA-N
Compound name
2,4-dimethylpyrimido[1,2-a]benzimidazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 147.0
[M+Na]+ 235.095418 160.0
[M-H]- 211.098924 149.5
[M+NH4]+ 230.140023 166.1
[M+K]+ 251.069358 154.6
[M+H-H2O]+ 195.103460 139.1
[M+HCOO]- 257.104401 168.9
[M+CH3COO]- 271.120051 160.5
[M+Na-2H]- 233.080866 154.5
[M]+ 212.10565142 149.3
[M]- 212.10674858 149.3
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

No patent data available for this compound.