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]+ 335.18663 181.2
[M+Na]+ 357.16857 187.9
[M-H]- 333.17207 187.6
[M+NH4]+ 352.21317 194.9
[M+K]+ 373.14251 182.8
[M+H-H2O]+ 317.17661 170.9
[M+HCOO]- 379.17755 205.1
[M+CH3COO]- 393.19320 217.9
[M+Na-2H]- 355.15402 185.3
[M]+ 334.17880 184.2
[M]- 334.17990 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.