CID 5872265

518018-56-9

Structural Information

Molecular Formula
C24H22N4O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N\NC(=O)CCN3C=NC4=CC=CC=C43
InChI
InChI=1S/C24H22N4O2/c29-24(14-15-28-18-25-22-8-4-5-9-23(22)28)27-26-16-19-10-12-21(13-11-19)30-17-20-6-2-1-3-7-20/h1-13,16,18H,14-15,17H2,(H,27,29)/b26-16-
InChIKey
NGQDVXCWMSSYFZ-QQXSKIMKSA-N
Compound name
3-(benzimidazol-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1743 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 197.2
[M+Na]+ 421.16352 211.9
[M+NH4]+ 416.20812 204.1
[M+K]+ 437.13746 204.0
[M-H]- 397.16702 204.0
[M+Na-2H]- 419.14897 207.8
[M]+ 398.17375 201.2
[M]- 398.17485 201.2
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.