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]+ 316.23833 179.7
[M+Na]+ 338.22027 192.7
[M+NH4]+ 333.26487 187.4
[M+K]+ 354.19421 185.4
[M-H]- 314.22377 181.1
[M+Na-2H]- 336.20572 183.3
[M]+ 315.23050 181.9
[M]- 315.23160 181.9
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.