CID 9569435

75393-01-0

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCN(CC)CCO/N=C/1\CC(OC2=CC=CC=C12)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C23H30N2O4/c1-5-25(6-2)13-14-28-24-19-16-22(29-20-10-8-7-9-18(19)20)17-11-12-21(26-3)23(15-17)27-4/h7-12,15,22H,5-6,13-14,16H2,1-4H3/b24-19+
InChIKey
OZKALSSMVORYTB-LYBHJNIJSA-N
Compound name
2-[(E)-[2-(3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 199.2
[M+Na]+ 421.20977 203.5
[M-H]- 397.21327 208.9
[M+NH4]+ 416.25437 210.5
[M+K]+ 437.18371 202.6
[M+H-H2O]+ 381.21781 188.4
[M+HCOO]- 443.21875 221.2
[M+CH3COO]- 457.23440 234.7
[M+Na-2H]- 419.19522 202.0
[M]+ 398.22000 205.7
[M]- 398.22110 205.7
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.