CID 3061639

79513-46-5

Structural Information

Molecular Formula
C17H24N4O
SMILES
COC1=CC2=C(C=C1)N3CCCN(C3=N2)CCN4CCCC4
InChI
InChI=1S/C17H24N4O/c1-22-14-5-6-16-15(13-14)18-17-20(9-4-10-21(16)17)12-11-19-7-2-3-8-19/h5-6,13H,2-4,7-12H2,1H3
InChIKey
CRINUCYXYFVDSK-UHFFFAOYSA-N
Compound name
8-methoxy-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 172.8
[M+Na]+ 323.18422 180.1
[M-H]- 299.18772 175.6
[M+NH4]+ 318.22882 187.9
[M+K]+ 339.15816 175.1
[M+H-H2O]+ 283.19226 162.4
[M+HCOO]- 345.19320 187.8
[M+CH3COO]- 359.20885 182.5
[M+Na-2H]- 321.16967 173.3
[M]+ 300.19445 172.3
[M]- 300.19555 172.3
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.