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]+ 303.217936 174.3
[M+Na]+ 325.199878 181.8
[M-H]- 301.203384 176.6
[M+NH4]+ 320.244483 189.9
[M+K]+ 341.173818 178.0
[M+H-H2O]+ 285.207920 164.5
[M+HCOO]- 347.208861 192.8
[M+CH3COO]- 361.224511 212.5
[M+Na-2H]- 323.185326 178.1
[M]+ 302.21011142 178.4
[M]- 302.21120858 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.