CID 54686227

Nsc647577

Structural Information

Molecular Formula
C24H27N3O4
SMILES
C/C(=N/N)/C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C24H27N3O4/c1-16(26-25)19(15-27-11-13-30-14-12-27)21(17-7-3-2-4-8-17)22-23(28)18-9-5-6-10-20(18)31-24(22)29/h2-10,19,21,28H,11-15,25H2,1H3/b26-16-
InChIKey
COLVBLXTZSBAMV-QQXSKIMKSA-N
Compound name
3-[(3Z)-3-hydrazinylidene-2-(morpholin-4-ylmethyl)-1-phenylbutyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.20016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20744 203.7
[M+Na]+ 444.18938 205.8
[M-H]- 420.19288 212.2
[M+NH4]+ 439.23398 208.4
[M+K]+ 460.16332 203.8
[M+H-H2O]+ 404.19742 192.1
[M+HCOO]- 466.19836 217.4
[M+CH3COO]- 480.21401 210.4
[M+Na-2H]- 442.17483 204.6
[M]+ 421.19961 200.8
[M]- 421.20071 200.8
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.