CID 5872265

3-(1h-benzimidazol-1-yl)-n'-(4-(benzyloxy)benzylidene)propanohydrazide

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]+ 399.181576 194.6
[M+Na]+ 421.163518 200.7
[M-H]- 397.167024 203.6
[M+NH4]+ 416.208123 204.8
[M+K]+ 437.137458 194.2
[M+H-H2O]+ 381.171560 182.4
[M+HCOO]- 443.172501 219.2
[M+CH3COO]- 457.188151 204.0
[M+Na-2H]- 419.148966 200.2
[M]+ 398.17375142 198.0
[M]- 398.17484858 198.0
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.