CID 9863520

Ns-2710

Structural Information

Molecular Formula
C22H20N4O
SMILES
CCO/N=C(\C)/C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CN=CC=C4
InChI
InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3/b25-16+
InChIKey
NHJFEXZXSCFYRX-PCLIKHOPSA-N
Compound name
(E)-N-ethoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

356.1637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 186.6
[M+Na]+ 379.15292 195.3
[M-H]- 355.15642 195.0
[M+NH4]+ 374.19752 197.9
[M+K]+ 395.12686 188.7
[M+H-H2O]+ 339.16096 174.5
[M+HCOO]- 401.16190 209.1
[M+CH3COO]- 415.17755 197.1
[M+Na-2H]- 377.13837 191.4
[M]+ 356.16315 190.2
[M]- 356.16425 190.2
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