CID 101102054

1442400-65-8

Structural Information

Molecular Formula
C24H22N4O3
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=N)N)C(=O)O
InChI
InChI=1S/C24H22N4O3/c1-2-31-24-27-20-9-5-8-19(23(29)30)21(20)28(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22(25)26/h3-13H,2,14H2,1H3,(H3,25,26)(H,29,30)
InChIKey
GLEVNSRDOQPXLD-UHFFFAOYSA-N
Compound name
3-[[4-(2-carbamimidoylphenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

414.1692 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 199.4
[M+Na]+ 437.15842 206.5
[M-H]- 413.16192 206.8
[M+NH4]+ 432.20302 207.9
[M+K]+ 453.13236 200.0
[M+H-H2O]+ 397.16646 188.8
[M+HCOO]- 459.16740 219.6
[M+CH3COO]- 473.18305 208.0
[M+Na-2H]- 435.14387 200.2
[M]+ 414.16865 200.7
[M]- 414.16975 200.7
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

patents stripe