CID 54712266

Nsc647589

Structural Information

Molecular Formula
C23H27N3O3
SMILES
C/C(=N\NC)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C23H27N3O3/c1-15(25-24-2)18(14-26(3)4)20(16-10-6-5-7-11-16)21-22(27)17-12-8-9-13-19(17)29-23(21)28/h5-13,18,20,24,27H,14H2,1-4H3/b25-15+
InChIKey
YCBFGMOJGGMQJD-MFKUBSTISA-N
Compound name
3-[(3E)-2-[(dimethylamino)methyl]-3-(methylhydrazinylidene)-1-phenylbutyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 198.6
[M+Na]+ 416.19445 202.2
[M-H]- 392.19795 207.5
[M+NH4]+ 411.23905 208.6
[M+K]+ 432.16839 200.8
[M+H-H2O]+ 376.20249 188.4
[M+HCOO]- 438.20343 219.9
[M+CH3COO]- 452.21908 235.6
[M+Na-2H]- 414.17990 200.5
[M]+ 393.20468 201.2
[M]- 393.20578 201.2
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.