CID 3061635

Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-(2-(diethylamino)ethyl)-8-methoxy-, bisoxalate

Structural Information

Molecular Formula
C17H26N4O
SMILES
CCN(CC)CCN1CCCN2C1=NC3=C2C=CC(=C3)OC
InChI
InChI=1S/C17H26N4O/c1-4-19(5-2)11-12-20-9-6-10-21-16-8-7-14(22-3)13-15(16)18-17(20)21/h7-8,13H,4-6,9-12H2,1-3H3
InChIKey
IDYUIHKQIJGMAG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.21066 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21794 174.3
[M+Na]+ 325.19988 181.8
[M-H]- 301.20338 176.6
[M+NH4]+ 320.24448 189.9
[M+K]+ 341.17382 178.0
[M+H-H2O]+ 285.20792 164.5
[M+HCOO]- 347.20886 192.8
[M+CH3COO]- 361.22451 212.5
[M+Na-2H]- 323.18533 178.1
[M]+ 302.21011 178.4
[M]- 302.21121 178.4
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.