CID 3061637

79513-45-4

Structural Information

Molecular Formula
C22H37N5O
SMILES
CCN(CC)CCN1CCCN2C1=NC3=C2C=CC(=C3)OCCN(CC)CC
InChI
InChI=1S/C22H37N5O/c1-5-24(6-2)14-15-26-12-9-13-27-21-11-10-19(18-20(21)23-22(26)27)28-17-16-25(7-3)8-4/h10-11,18H,5-9,12-17H2,1-4H3
InChIKey
QDFPUBYWDDNDSU-UHFFFAOYSA-N
Compound name
2-[8-[2-(diethylamino)ethoxy]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.2998 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.30708 199.8
[M+Na]+ 410.28902 204.0
[M-H]- 386.29252 202.5
[M+NH4]+ 405.33362 212.0
[M+K]+ 426.26296 200.6
[M+H-H2O]+ 370.29706 188.6
[M+HCOO]- 432.29800 218.0
[M+CH3COO]- 446.31365 235.3
[M+Na-2H]- 408.27447 201.0
[M]+ 387.29925 206.1
[M]- 387.30035 206.1
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.