CID 1503

Chembl96493

Structural Information

Molecular Formula
C15H14N4O2
SMILES
COC1=CC(=C(C=C1)O)C2=NC3=C(N2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
InChIKey
ZFCKHJJALHETHG-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5-methoxyphenyl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

282.11166 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 162.6
[M+Na]+ 305.10088 171.9
[M-H]- 281.10438 166.1
[M+NH4]+ 300.14548 176.7
[M+K]+ 321.07482 165.9
[M+H-H2O]+ 265.10892 154.5
[M+HCOO]- 327.10986 184.1
[M+CH3COO]- 341.12551 173.7
[M+Na-2H]- 303.08633 167.0
[M]+ 282.11111 161.4
[M]- 282.11221 161.4
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