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 180.4
[M+Na]+ 338.22027 187.8
[M-H]- 314.22377 180.8
[M+NH4]+ 333.26487 195.2
[M+K]+ 354.19421 182.2
[M+H-H2O]+ 298.22831 170.6
[M+HCOO]- 360.22925 196.6
[M+CH3COO]- 374.24490 210.1
[M+Na-2H]- 336.20572 183.0
[M]+ 315.23050 184.5
[M]- 315.23160 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.