CID 3074971

169132-77-8

Structural Information

Molecular Formula
C22H17N3O
SMILES
C1=CC=C(C=C1)C2=CC(N3C4=CC=CC=C4N=C3N2)C5=CC=C(C=C5)O
InChI
InChI=1S/C22H17N3O/c26-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)24-22-23-18-8-4-5-9-20(18)25(21)22/h1-14,21,26H,(H,23,24)
InChIKey
BKZJRVQULOTRJT-UHFFFAOYSA-N
Compound name
4-(2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.13718 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14446 180.6
[M+Na]+ 362.12640 190.1
[M-H]- 338.12990 186.2
[M+NH4]+ 357.17100 191.9
[M+K]+ 378.10034 180.8
[M+H-H2O]+ 322.13444 169.7
[M+HCOO]- 384.13538 196.6
[M+CH3COO]- 398.15103 190.1
[M+Na-2H]- 360.11185 185.7
[M]+ 339.13663 178.7
[M]- 339.13773 178.7
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.