CID 54712275

Nsc647273

Structural Information

Molecular Formula
C24H27N3O3
SMILES
C1CCN(C1)CC/C(=N\N)/CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C24H27N3O3/c25-26-18(12-15-27-13-6-7-14-27)16-20(17-8-2-1-3-9-17)22-23(28)19-10-4-5-11-21(19)30-24(22)29/h1-5,8-11,20,28H,6-7,12-16,25H2/b26-18+
InChIKey
REFXANMNGYSZQM-NLRVBDNBSA-N
Compound name
3-[(3Z)-3-hydrazinylidene-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 198.0
[M+Na]+ 428.19445 201.3
[M-H]- 404.19795 206.6
[M+NH4]+ 423.23905 207.0
[M+K]+ 444.16839 196.9
[M+H-H2O]+ 388.20249 187.7
[M+HCOO]- 450.20343 215.9
[M+CH3COO]- 464.21908 205.9
[M+Na-2H]- 426.17990 197.9
[M]+ 405.20468 196.1
[M]- 405.20578 196.1
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.