CID 3061659

79513-67-0

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCCCCCCCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C
InChI
InChI=1S/C19H29N3O/c1-3-4-5-6-7-8-14-23-16-10-11-18-17(15-16)20-19-21(2)12-9-13-22(18)19/h10-11,15H,3-9,12-14H2,1-2H3
InChIKey
KBRQUIBCYWECCW-UHFFFAOYSA-N
Compound name
1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 180.4
[M+Na]+ 338.220268 187.8
[M-H]- 314.223774 180.8
[M+NH4]+ 333.264873 195.2
[M+K]+ 354.194208 182.2
[M+H-H2O]+ 298.228310 170.6
[M+HCOO]- 360.229251 196.6
[M+CH3COO]- 374.244901 210.1
[M+Na-2H]- 336.205716 183.0
[M]+ 315.23050142 184.5
[M]- 315.23159858 184.5
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.