CID 146599

116408-96-9

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5
InChI
InChI=1S/C22H25NO5/c1-22(23-8-3-4-9-23)12-16(14-6-5-7-17(25-2)21(14)24)15-10-19-20(27-13-26-19)11-18(15)28-22/h5-7,10-11,16,24H,3-4,8-9,12-13H2,1-2H3
InChIKey
CRSJWEZUGYNWDK-UHFFFAOYSA-N
Compound name
2-methoxy-6-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.17328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18056 188.5
[M+Na]+ 406.16250 195.5
[M-H]- 382.16600 199.3
[M+NH4]+ 401.20710 201.5
[M+K]+ 422.13644 194.4
[M+H-H2O]+ 366.17054 181.7
[M+HCOO]- 428.17148 200.5
[M+CH3COO]- 442.18713 198.5
[M+Na-2H]- 404.14795 188.5
[M]+ 383.17273 189.8
[M]- 383.17383 189.8
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