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 169.2
[M+Na]+ 314.12640 179.9
[M-H]- 290.12990 173.2
[M+NH4]+ 309.17100 184.0
[M+K]+ 330.10034 172.7
[M+H-H2O]+ 274.13444 159.5
[M+HCOO]- 336.13538 187.0
[M+CH3COO]- 350.15103 180.3
[M+Na-2H]- 312.11185 174.5
[M]+ 291.13663 170.5
[M]- 291.13773 170.5
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.