CID 93978

58186-56-4

Structural Information

Molecular Formula
C25H23NO2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=CC3(O2)C=CC4=C(O3)C=CC5=CC=CC=C54
InChI
InChI=1S/C25H23NO2/c1-3-26(4-2)20-11-9-19-13-15-25(28-24(19)17-20)16-14-22-21-8-6-5-7-18(21)10-12-23(22)27-25/h5-17H,3-4H2,1-2H3
InChIKey
BOGTVUXFYUTKBK-UHFFFAOYSA-N
Compound name
N,N-diethylspiro[benzo[f]chromene-3,2'-chromene]-7'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.17288 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.180156 189.7
[M+Na]+ 392.162098 197.2
[M-H]- 368.165604 199.7
[M+NH4]+ 387.206703 204.3
[M+K]+ 408.136038 194.0
[M+H-H2O]+ 352.170140 178.2
[M+HCOO]- 414.171081 205.9
[M+CH3COO]- 428.186731 199.8
[M+Na-2H]- 390.147546 198.1
[M]+ 369.17233142 191.7
[M]- 369.17342858 191.7
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.