CID 9574243

Phcon2 dehydroa

Structural Information

Molecular Formula
C20H18N4O6
SMILES
C1=CC=C(C=C1)C(=O)N/N=C\2/C(O/C(=N/NC(=O)C3=CC=CC=C3)/C2=O)C(CO)O
InChI
InChI=1S/C20H18N4O6/c25-11-14(26)17-15(21-22-18(28)12-7-3-1-4-8-12)16(27)20(30-17)24-23-19(29)13-9-5-2-6-10-13/h1-10,14,17,25-26H,11H2,(H,22,28)(H,23,29)/b21-15+,24-20+
InChIKey
KDLPQVHMGZZELG-GGQBFWCMSA-N
Compound name
N-[(Z)-[(5E)-5-(benzoylhydrazinylidene)-2-(1,2-dihydroxyethyl)-4-oxooxolan-3-ylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.12262 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12990 193.1
[M+Na]+ 433.11184 195.0
[M-H]- 409.11534 203.2
[M+NH4]+ 428.15644 201.4
[M+K]+ 449.08578 194.0
[M+H-H2O]+ 393.11988 183.2
[M+HCOO]- 455.12082 216.7
[M+CH3COO]- 469.13647 231.0
[M+Na-2H]- 431.09729 194.0
[M]+ 410.12207 191.4
[M]- 410.12317 191.4
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.