CID 6889114

518018-77-4

Structural Information

Molecular Formula
C18H18N4O2
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)CCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C18H18N4O2/c1-24-15-6-4-5-14(11-15)12-20-21-18(23)9-10-22-13-19-16-7-2-3-8-17(16)22/h2-8,11-13H,9-10H2,1H3,(H,21,23)/b20-12+
InChIKey
ZHFUTDOYRGOKIW-UDWIEESQSA-N
Compound name
3-(benzimidazol-1-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.14297 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 174.2
[M+Na]+ 345.13219 181.9
[M-H]- 321.13569 180.8
[M+NH4]+ 340.17679 188.4
[M+K]+ 361.10613 177.3
[M+H-H2O]+ 305.14023 163.9
[M+HCOO]- 367.14117 199.9
[M+CH3COO]- 381.15682 213.2
[M+Na-2H]- 343.11764 180.6
[M]+ 322.14242 178.5
[M]- 322.14352 178.5
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.