CID 135493900

Nsc679492

Structural Information

Molecular Formula
C24H22N4O3
SMILES
COC1=C(C=CC(=C1)/C(=N/NC(=O)C2=CC=CC=C2)/N=NC3=CC=CC=C3)OCC=C
InChI
InChI=1S/C24H22N4O3/c1-3-16-31-21-15-14-19(17-22(21)30-2)23(26-25-20-12-8-5-9-13-20)27-28-24(29)18-10-6-4-7-11-18/h3-15,17H,1,16H2,2H3,(H,28,29)/b26-25?,27-23-
InChIKey
XMVGBDYHBUVKNO-JZAMBYSNSA-N
Compound name
N-[(Z)-[(3-methoxy-4-prop-2-enoxyphenyl)-phenyldiazenylmethylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1692 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 200.3
[M+Na]+ 437.15842 203.6
[M-H]- 413.16192 212.9
[M+NH4]+ 432.20302 210.1
[M+K]+ 453.13236 200.3
[M+H-H2O]+ 397.16646 187.8
[M+HCOO]- 459.16740 230.1
[M+CH3COO]- 473.18305 239.7
[M+Na-2H]- 435.14387 204.9
[M]+ 414.16865 203.2
[M]- 414.16975 203.2
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.