CID 112205

4-(3'-methyl-2,2'-spirobi[2h-1-benzopyran]-7-yl)morpholine

Structural Information

Molecular Formula
C22H21NO3
SMILES
CC1=CC2=CC=CC=C2OC13C=CC4=C(O3)C=C(C=C4)N5CCOCC5
InChI
InChI=1S/C22H21NO3/c1-16-14-18-4-2-3-5-20(18)25-22(16)9-8-17-6-7-19(15-21(17)26-22)23-10-12-24-13-11-23/h2-9,14-15H,10-13H2,1H3
InChIKey
XVHYHEGAGVGQJD-UHFFFAOYSA-N
Compound name
4-(3'-methyl-2,2'-spirobi[chromene]-7-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.15213 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 183.1
[M+Na]+ 370.14135 190.0
[M-H]- 346.14485 193.0
[M+NH4]+ 365.18595 194.2
[M+K]+ 386.11529 188.1
[M+H-H2O]+ 330.14939 171.2
[M+HCOO]- 392.15033 194.3
[M+CH3COO]- 406.16598 192.6
[M+Na-2H]- 368.12680 190.1
[M]+ 347.15158 180.7
[M]- 347.15268 180.7
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

patents stripe