CID 9587893

Brn 2797439

Structural Information

Molecular Formula
C26H24N4O6
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)NC(=O)C)OC
InChI
InChI=1S/C26H24N4O6/c1-16(31)28-21-9-5-19(6-10-21)25(33)30-27-15-18-4-13-23(24(14-18)35-3)36-26(34)20-7-11-22(12-8-20)29-17(2)32/h4-15H,1-3H3,(H,28,31)(H,29,32)(H,30,33)/b27-15+
InChIKey
QYFCQAVGILOOPB-JFLMPSFJSA-N
Compound name
[4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1696 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.17688 216.4
[M+Na]+ 511.15882 218.6
[M-H]- 487.16232 226.9
[M+NH4]+ 506.20342 221.8
[M+K]+ 527.13276 217.1
[M+H-H2O]+ 471.16686 204.4
[M+HCOO]- 533.16780 241.2
[M+CH3COO]- 547.18345 251.2
[M+Na-2H]- 509.14427 216.2
[M]+ 488.16905 219.4
[M]- 488.17015 219.4
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.