CID 6334943

Nsc641608

Structural Information

Molecular Formula
C23H28N3O3
SMILES
CCC(C1C2=CC=CC=C2C(=O)O1)/C(=N\NC(=O)C[N+](C)(C)C)/C3=CC=CC=C3
InChI
InChI=1S/C23H27N3O3/c1-5-17(22-18-13-9-10-14-19(18)23(28)29-22)21(16-11-7-6-8-12-16)25-24-20(27)15-26(2,3)4/h6-14,17,22H,5,15H2,1-4H3/p+1/b25-21-
InChIKey
TUVYXWKSYRJPOW-DAFNUICNSA-O
Compound name
trimethyl-[2-oxo-2-[(2E)-2-[2-(3-oxo-1H-2-benzofuran-1-yl)-1-phenylbutylidene]hydrazinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.21307 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22035 196.8
[M+Na]+ 417.20229 199.4
[M-H]- 393.20579 206.8
[M+NH4]+ 412.24689 209.1
[M+K]+ 433.17623 192.2
[M+H-H2O]+ 377.21033 190.8
[M+HCOO]- 439.21127 218.2
[M+CH3COO]- 453.22692 226.9
[M+Na-2H]- 415.18774 201.5
[M]+ 394.21252 197.8
[M]- 394.21362 197.8
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.