CID 6889189

518018-75-2

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)CCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C20H22N4O/c1-15(2)17-9-7-16(8-10-17)13-22-23-20(25)11-12-24-14-21-18-5-3-4-6-19(18)24/h3-10,13-15H,11-12H2,1-2H3,(H,23,25)/b22-13+
InChIKey
FRBYEBNJNHUNQN-LPYMAVHISA-N
Compound name
3-(benzimidazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17935 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.186626 181.2
[M+Na]+ 357.168568 187.9
[M-H]- 333.172074 187.6
[M+NH4]+ 352.213173 194.9
[M+K]+ 373.142508 182.8
[M+H-H2O]+ 317.176610 170.9
[M+HCOO]- 379.177551 205.1
[M+CH3COO]- 393.193201 217.9
[M+Na-2H]- 355.154016 185.3
[M]+ 334.17880142 184.2
[M]- 334.17989858 184.2
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.