CID 171454

Einecs 259-696-1

Structural Information

Molecular Formula
C27H25NO2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=CC3(O2)C(=CC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C27H25NO2/c1-3-28(4-2)23-15-14-21-16-17-27(30-26(21)19-23)24(20-10-6-5-7-11-20)18-22-12-8-9-13-25(22)29-27/h5-19H,3-4H2,1-2H3
InChIKey
KDMXIQJIVFETAO-UHFFFAOYSA-N
Compound name
N,N-diethyl-3'-phenyl-2,2'-spirobi[chromene]-7-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

395.18854 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19582 199.3
[M+Na]+ 418.17776 206.0
[M-H]- 394.18126 211.3
[M+NH4]+ 413.22236 211.5
[M+K]+ 434.15170 202.6
[M+H-H2O]+ 378.18580 187.1
[M+HCOO]- 440.18674 216.5
[M+CH3COO]- 454.20239 208.8
[M+Na-2H]- 416.16321 206.0
[M]+ 395.18799 200.6
[M]- 395.18909 200.6
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

patents stripe