CID 121696

30411-66-6

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCCCN=C1C=C(OC2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H21NO2/c1-3-4-13-21-18-14-20(15-9-11-16(22-2)12-10-15)23-19-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3
InChIKey
IXZHSFLQBMHXAD-UHFFFAOYSA-N
Compound name
N-butyl-2-(4-methoxyphenyl)chromen-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

307.15723 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 173.5
[M+Na]+ 330.146448 181.6
[M-H]- 306.149954 183.0
[M+NH4]+ 325.191053 188.6
[M+K]+ 346.120388 178.1
[M+H-H2O]+ 290.154490 164.3
[M+HCOO]- 352.155431 197.7
[M+CH3COO]- 366.171081 211.3
[M+Na-2H]- 328.131896 180.7
[M]+ 307.15668142 178.2
[M]- 307.15777858 178.2
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.