CID 54686225

Nsc647427

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CN/N=C(\CCN1CCCC1)/CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C25H29N3O3/c1-26-27-19(13-16-28-14-7-8-15-28)17-21(18-9-3-2-4-10-18)23-24(29)20-11-5-6-12-22(20)31-25(23)30/h2-6,9-12,21,26,29H,7-8,13-17H2,1H3/b27-19+
InChIKey
AYJVPGABEZOFAX-ZXVVBBHZSA-N
Compound name
4-hydroxy-3-[(3Z)-3-(methylhydrazinylidene)-1-phenyl-5-pyrrolidin-1-ylpentyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.2209 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 202.0
[M+Na]+ 442.21012 204.7
[M-H]- 418.21362 210.8
[M+NH4]+ 437.25472 210.6
[M+K]+ 458.18406 200.5
[M+H-H2O]+ 402.21816 191.4
[M+HCOO]- 464.21910 220.1
[M+CH3COO]- 478.23475 231.3
[M+Na-2H]- 440.19557 202.4
[M]+ 419.22035 201.3
[M]- 419.22145 201.3
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.