CID 5274475

2-[4-(4-oxochromen-2-yl)phenyl]-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C23H16N4O2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=N)N
InChI
InChI=1S/C23H16N4O2/c24-22(25)15-9-10-17-18(11-15)27-23(26-17)14-7-5-13(6-8-14)21-12-19(28)16-3-1-2-4-20(16)29-21/h1-12H,(H3,24,25)(H,26,27)
InChIKey
DRMCCRVUTFJIQL-UHFFFAOYSA-N
Compound name
2-[4-(4-oxochromen-2-yl)phenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.12732 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13460 189.3
[M+Na]+ 403.11654 199.2
[M-H]- 379.12004 198.5
[M+NH4]+ 398.16114 198.9
[M+K]+ 419.09048 191.8
[M+H-H2O]+ 363.12458 179.0
[M+HCOO]- 425.12552 209.2
[M+CH3COO]- 439.14117 199.2
[M+Na-2H]- 401.10199 194.6
[M]+ 380.12677 189.1
[M]- 380.12787 189.1
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.