CID 3074972

Pyrimido(1,2-a)benzimidazole, 2,4-bis(4-methoxyphenyl)-3-fluoro-

Structural Information

Molecular Formula
C24H18FN3O2
SMILES
COC1=CC=C(C=C1)C2=C(C(=NC3=NC4=CC=CC=C4N23)C5=CC=C(C=C5)OC)F
InChI
InChI=1S/C24H18FN3O2/c1-29-17-11-7-15(8-12-17)22-21(25)23(16-9-13-18(30-2)14-10-16)28-20-6-4-3-5-19(20)26-24(28)27-22/h3-14H,1-2H3
InChIKey
IRSRBBZGHXZDHV-UHFFFAOYSA-N
Compound name
3-fluoro-2,4-bis(4-methoxyphenyl)pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1383 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14558 198.5
[M+Na]+ 422.12752 210.4
[M-H]- 398.13102 206.1
[M+NH4]+ 417.17212 209.0
[M+K]+ 438.10146 202.3
[M+H-H2O]+ 382.13556 185.4
[M+HCOO]- 444.13650 216.9
[M+CH3COO]- 458.15215 208.5
[M+Na-2H]- 420.11297 201.7
[M]+ 399.13775 203.1
[M]- 399.13885 203.1
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.