CID 160075

Ns00059824

Structural Information

Molecular Formula
C21H21NO2
SMILES
CN(C)CCC=C1C2=CC=CC=C2OCC3=C1C4=CC=CC=C4O3
InChI
InChI=1S/C21H21NO2/c1-22(2)13-7-10-16-15-8-3-5-11-18(15)23-14-20-21(16)17-9-4-6-12-19(17)24-20/h3-6,8-12H,7,13-14H2,1-2H3
InChIKey
KZZOCVVBFGSXFT-UHFFFAOYSA-N
Compound name
3-(6H-[1]benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.164506 175.6
[M+Na]+ 342.146448 183.6
[M-H]- 318.149954 185.9
[M+NH4]+ 337.191053 192.1
[M+K]+ 358.120388 183.9
[M+H-H2O]+ 302.154490 170.7
[M+HCOO]- 364.155431 195.9
[M+CH3COO]- 378.171081 187.6
[M+Na-2H]- 340.131896 181.7
[M]+ 319.15668142 178.3
[M]- 319.15777858 178.3
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.