CID 3074967

169132-73-4

Structural Information

Molecular Formula
C18H17N3O
SMILES
CC1=CC(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H17N3O/c1-12-11-17(13-7-9-14(22-2)10-8-13)21-16-6-4-3-5-15(16)20-18(21)19-12/h3-11,17H,1-2H3,(H,19,20)
InChIKey
AALMRCUSSDYMBE-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

291.13718 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 169.0
[M+Na]+ 314.12640 185.9
[M+NH4]+ 309.17100 177.8
[M+K]+ 330.10034 178.8
[M-H]- 290.12990 173.2
[M+Na-2H]- 312.11185 177.0
[M]+ 291.13663 172.8
[M]- 291.13773 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.