CID 1504

2-(2-hydroxy-3-phenylphenyl)-1h-1,3-benzodiazole-5-carboximidamide

Structural Information

Molecular Formula
C20H16N4O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)O
InChI
InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)
InChIKey
LMGQGPVCSYOMNS-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-phenylphenyl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

42
Patents

328.13242 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 175.3
[M+Na]+ 351.12164 183.8
[M-H]- 327.12514 181.6
[M+NH4]+ 346.16624 186.9
[M+K]+ 367.09558 175.5
[M+H-H2O]+ 311.12968 165.9
[M+HCOO]- 373.13062 196.1
[M+CH3COO]- 387.14627 185.3
[M+Na-2H]- 349.10709 179.6
[M]+ 328.13187 171.9
[M]- 328.13297 171.9
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

patents stripe