CID 3061655

Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-8-benzyloxy-1-methyl-, methanesulfonate

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN1CCCN2C1=NC3=C2C=CC(=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C18H19N3O/c1-20-10-5-11-21-17-9-8-15(12-16(17)19-18(20)21)22-13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKey
PXLZVGPQUOGEFI-UHFFFAOYSA-N
Compound name
1-methyl-8-phenylmethoxy-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]+ 294.160076 169.4
[M+Na]+ 316.142018 178.5
[M-H]- 292.145524 173.8
[M+NH4]+ 311.186623 184.4
[M+K]+ 332.115958 172.4
[M+H-H2O]+ 276.150060 158.9
[M+HCOO]- 338.151001 187.3
[M+CH3COO]- 352.166651 180.3
[M+Na-2H]- 314.127466 174.8
[M]+ 293.15225142 170.5
[M]- 293.15334858 170.5
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.