CID 3010973

Chembl252700

Structural Information

Molecular Formula
C23H24N4O2
SMILES
COC1=CC=CC(=C1)CN(CC2=CC(=CC=C2)OC)C3=CC4=C(C=C3)N=C(N4)N
InChI
InChI=1S/C23H24N4O2/c1-28-19-7-3-5-16(11-19)14-27(15-17-6-4-8-20(12-17)29-2)18-9-10-21-22(13-18)26-23(24)25-21/h3-13H,14-15H2,1-2H3,(H3,24,25,26)
InChIKey
LDQSJEXQFRGZMM-UHFFFAOYSA-N
Compound name
5-N,5-N-bis[(3-methoxyphenyl)methyl]-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

388.1899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 192.8
[M+Na]+ 411.17912 200.0
[M-H]- 387.18262 201.0
[M+NH4]+ 406.22372 203.2
[M+K]+ 427.15306 194.0
[M+H-H2O]+ 371.18716 181.6
[M+HCOO]- 433.18810 215.3
[M+CH3COO]- 447.20375 202.4
[M+Na-2H]- 409.16457 196.2
[M]+ 388.18935 195.7
[M]- 388.19045 195.7
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

No patent data available for this compound.