CID 3061675

8-methoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN1CCCN2C1=NC3=C2C=CC(=C3)OC
InChI
InChI=1S/C12H15N3O/c1-14-6-3-7-15-11-5-4-9(16-2)8-10(11)13-12(14)15/h4-5,8H,3,6-7H2,1-2H3
InChIKey
WITZKWISPULBOW-UHFFFAOYSA-N
Compound name
8-methoxy-1-methyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.3
[M+Na]+ 240.110718 158.9
[M-H]- 216.114224 150.1
[M+NH4]+ 235.155323 167.2
[M+K]+ 256.084658 155.0
[M+H-H2O]+ 200.118760 140.0
[M+HCOO]- 262.119701 167.0
[M+CH3COO]- 276.135351 160.9
[M+Na-2H]- 238.096166 154.8
[M]+ 217.12095142 150.2
[M]- 217.12204858 150.2
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.