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]+ 323.150246 174.2
[M+Na]+ 345.132188 181.9
[M-H]- 321.135694 180.8
[M+NH4]+ 340.176793 188.4
[M+K]+ 361.106128 177.3
[M+H-H2O]+ 305.140230 163.9
[M+HCOO]- 367.141171 199.9
[M+CH3COO]- 381.156821 213.2
[M+Na-2H]- 343.117636 180.6
[M]+ 322.14242142 178.5
[M]- 322.14351858 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.