CID 54696192

Nsc647409

Structural Information

Molecular Formula
C24H26N2O4
SMILES
C1CCN(C1)CC/C(=N\O)/CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C24H26N2O4/c27-23-19-10-4-5-11-21(19)30-24(28)22(23)20(17-8-2-1-3-9-17)16-18(25-29)12-15-26-13-6-7-14-26/h1-5,8-11,20,27,29H,6-7,12-16H2/b25-18+
InChIKey
WGWBUASVGLDXKO-XIEYBQDHSA-N
Compound name
4-hydroxy-3-[(3Z)-3-hydroxyimino-1-phenyl-5-pyrrolidin-1-ylpentyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18927 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 197.2
[M+Na]+ 429.17849 200.7
[M-H]- 405.18199 205.0
[M+NH4]+ 424.22309 205.9
[M+K]+ 445.15243 196.5
[M+H-H2O]+ 389.18653 187.3
[M+HCOO]- 451.18747 213.4
[M+CH3COO]- 465.20312 223.1
[M+Na-2H]- 427.16394 197.1
[M]+ 406.18872 196.4
[M]- 406.18982 196.4
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.