CID 378949

Nsc662457

Structural Information

Molecular Formula
C27H22ClN3O5
SMILES
CC(C1=CC2=CC=CC=C2OC1=O)NNC(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H22ClN3O5/c1-17(22-15-19-9-5-6-10-23(19)36-27(22)35)29-30-24(32)16-25(33)31(21-13-11-20(28)12-14-21)26(34)18-7-3-2-4-8-18/h2-15,17,29H,16H2,1H3,(H,30,32)
InChIKey
HXIBKJJEAZWEMY-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-[3-oxo-3-[2-[1-(2-oxochromen-3-yl)ethyl]hydrazinyl]propanoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.1248 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.13208 219.4
[M+Na]+ 526.11402 223.0
[M-H]- 502.11752 231.0
[M+NH4]+ 521.15862 224.8
[M+K]+ 542.08796 220.5
[M+H-H2O]+ 486.12206 208.7
[M+HCOO]- 548.12300 235.8
[M+CH3COO]- 562.13865 249.6
[M+Na-2H]- 524.09947 220.9
[M]+ 503.12425 224.3
[M]- 503.12535 224.3
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.