CID 414754

Nsc63669

Structural Information

Molecular Formula
C28H28N6O3
SMILES
CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C28H28N6O3/c1-2-37-24-12-7-20(27(35)33-21-8-3-18(4-9-21)25-29-13-14-30-25)17-23(24)28(36)34-22-10-5-19(6-11-22)26-31-15-16-32-26/h3-12,17H,2,13-16H2,1H3,(H,29,30)(H,31,32)(H,33,35)(H,34,36)
InChIKey
VLMWQXNBFRIOBW-UHFFFAOYSA-N
Compound name
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-ethoxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

496.2223 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.22958 211.4
[M+Na]+ 519.21152 213.0
[M-H]- 495.21502 220.0
[M+NH4]+ 514.25612 213.0
[M+K]+ 535.18546 205.9
[M+H-H2O]+ 479.21956 198.7
[M+HCOO]- 541.22050 226.2
[M+CH3COO]- 555.23615 216.4
[M+Na-2H]- 517.19697 208.6
[M]+ 496.22175 206.7
[M]- 496.22285 206.7
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.