CID 54712299

Nsc647578

Structural Information

Molecular Formula
C25H29N3O3
SMILES
C/C(=N\N)/C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C25H29N3O3/c1-17(27-26)20(16-28-14-8-3-9-15-28)22(18-10-4-2-5-11-18)23-24(29)19-12-6-7-13-21(19)31-25(23)30/h2,4-7,10-13,20,22,29H,3,8-9,14-16,26H2,1H3/b27-17+
InChIKey
WROAEXIOBUXXSI-WPWMEQJKSA-N
Compound name
3-[(3E)-3-hydrazinylidene-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.2209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.228176 202.6
[M+Na]+ 442.210118 204.3
[M-H]- 418.213624 210.2
[M+NH4]+ 437.254723 208.8
[M+K]+ 458.184058 200.4
[M+H-H2O]+ 402.218160 191.1
[M+HCOO]- 464.219101 216.8
[M+CH3COO]- 478.234751 232.6
[M+Na-2H]- 440.195566 202.7
[M]+ 419.22035142 198.1
[M]- 419.22144858 198.1
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.