CID 3010971

N5-[(3-phenoxyphenyl)methyl]-3h-benzimidazole-2,5-diamine

Structural Information

Molecular Formula
C20H18N4O
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=C(N4)N
InChI
InChI=1S/C20H18N4O/c21-20-23-18-10-9-15(12-19(18)24-20)22-13-14-5-4-8-17(11-14)25-16-6-2-1-3-7-16/h1-12,22H,13H2,(H3,21,23,24)
InChIKey
RYMPJBLKCYCXTI-UHFFFAOYSA-N
Compound name
5-N-[(3-phenoxyphenyl)methyl]-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.14807 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 174.0
[M+Na]+ 353.13729 182.1
[M-H]- 329.14079 181.0
[M+NH4]+ 348.18189 186.1
[M+K]+ 369.11123 174.4
[M+H-H2O]+ 313.14533 163.8
[M+HCOO]- 375.14627 197.1
[M+CH3COO]- 389.16192 184.4
[M+Na-2H]- 351.12274 180.6
[M]+ 330.14752 173.1
[M]- 330.14862 173.1
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

No patent data available for this compound.