CID 9555869

Nsc644478

Structural Information

Molecular Formula
C26H25N3O4
SMILES
CC1=CC=C(C=C1)N(C(=O)CC(=O)N/N=C(\C)/C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H25N3O4/c1-18-9-13-22(14-10-18)29(26(32)21-7-5-4-6-8-21)25(31)17-24(30)28-27-19(2)20-11-15-23(33-3)16-12-20/h4-16H,17H2,1-3H3,(H,28,30)/b27-19+
InChIKey
SUHGVDRUULOBLM-ZXVVBBHZSA-N
Compound name
N'-benzoyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.1845 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 209.0
[M+Na]+ 466.17372 210.7
[M-H]- 442.17722 220.3
[M+NH4]+ 461.21832 217.0
[M+K]+ 482.14766 208.9
[M+H-H2O]+ 426.18176 197.3
[M+HCOO]- 488.18270 232.9
[M+CH3COO]- 502.19835 242.9
[M+Na-2H]- 464.15917 208.4
[M]+ 443.18395 211.2
[M]- 443.18505 211.2
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.