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]+ 340.144456 180.6
[M+Na]+ 362.126398 190.1
[M-H]- 338.129904 186.2
[M+NH4]+ 357.171003 191.9
[M+K]+ 378.100338 180.8
[M+H-H2O]+ 322.134440 169.7
[M+HCOO]- 384.135381 196.6
[M+CH3COO]- 398.151031 190.1
[M+Na-2H]- 360.111846 185.7
[M]+ 339.13663142 178.7
[M]- 339.13772858 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.