CID 485817

Schembl14599555

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=N)N)O
InChI
InChI=1S/C14H12N4O/c15-13(16)9-3-6-11-12(7-9)18-14(17-11)8-1-4-10(19)5-2-8/h1-7,19H,(H3,15,16)(H,17,18)
InChIKey
VBQWXQOKPJTMJL-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

252.1011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 154.4
[M+Na]+ 275.09032 163.5
[M-H]- 251.09382 157.7
[M+NH4]+ 270.13492 169.6
[M+K]+ 291.06426 157.0
[M+H-H2O]+ 235.09836 146.5
[M+HCOO]- 297.09930 176.1
[M+CH3COO]- 311.11495 165.8
[M+Na-2H]- 273.07577 160.0
[M]+ 252.10055 151.1
[M]- 252.10165 151.1
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