CID 3061679

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

Structural Information

Molecular Formula
C18H19N3O
SMILES
COC1=CC2=C(C=C1)N3CCCN(C3=N2)CC4=CC=CC=C4
InChI
InChI=1S/C18H19N3O/c1-22-15-8-9-17-16(12-15)19-18-20(10-5-11-21(17)18)13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKey
IGXAEDSRZJXUFA-UHFFFAOYSA-N
Compound name
1-benzyl-8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 169.5
[M+Na]+ 316.14202 185.7
[M+NH4]+ 311.18662 178.7
[M+K]+ 332.11596 178.3
[M-H]- 292.14552 173.9
[M+Na-2H]- 314.12747 177.5
[M]+ 293.15225 173.2
[M]- 293.15335 173.2
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.