CID 9570013

36289-79-9

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1)/C(=N/NC(=O)C2=CC=CC=C2)/C
InChI
InChI=1S/C18H18N4O2/c1-13(19-21-17(23)15-9-5-3-6-10-15)14(2)20-22-18(24)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,23)(H,22,24)/b19-13+,20-14+
InChIKey
AYQQDKPKRPSTOL-IWGRKNQJSA-N
Compound name
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 177.0
[M+Na]+ 345.13219 179.3
[M-H]- 321.13569 185.5
[M+NH4]+ 340.17679 190.1
[M+K]+ 361.10613 177.3
[M+H-H2O]+ 305.14023 167.0
[M+HCOO]- 367.14117 204.3
[M+CH3COO]- 381.15682 220.9
[M+Na-2H]- 343.11764 180.7
[M]+ 322.14242 175.6
[M]- 322.14352 175.6
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.